A transport model description of Time-Dependent Generator Coordinate under

Gaussian overlap approximation

Fangyuan Wang,1 Yingxun Zhang,1, ∗ and Zhipan Li2
1
Department of Nuclear Physics, China Institute of Atomic Energy, Beijing 102413, People’s Republic of China
2
School of Physical Science and Technology, Southwest University, Chongqing 400715, People’s Republic of China
(Dated: January 3, 2023)
In this work, we derived a transport equation based on a generalized equation of time-dependent
generator coordinate method (TDGCM) under the Gaussian overlap approximation (GOA). The
transport equation is obtained by using quantum-mechanics phase space distributions under a
“quasi-particle” picture and strategy of Bogoliubov-Born-Green-Kirkood-Yvon (BBGKY) hierar-
chy. The theoretical advantage of this transport equation is that time evolution of s-body phase
arXiv:2301.00202v1 [nucl-th] 31 Dec 2022

space density distribution is coupled with s + 1-body phase space density distributions, and thus,
non-adiabatic effects and dynamical fluctuations could be involved by more collective degrees and
entanglement of phase space trajectories. In future, we will perform the numerical calculations for
fission nuclei after obtaining collective inertia and potential energy surface (PES).

I. INTRODUCTION yields distribution with these models is still a theoreti-

After the discovery of nuclear fission by Hahn and
Strassmann [1] in 1939, nuclear fission has become one
of the most challenging topics in physics since it is a key
ingredient for modeling nucleosynthesis [2], energy pro-
duction [3], medicine [4], and nuclear safeguard [5]. Even
with recent progress in experimental techniques, mea-
surements of nuclear fission are not possible for all fis-
sion nuclei. Thus, theoretical simulations are mandatory
for fully understanding the fission dynamics and comple-
menting the missing data [6–12].
One kind of models is useful macroscopic model by
taking into account shell effects, collective variables, and
correlations between collective degree and single parti-
cles motions, such as Brownian shape motion [13–15]
and Langevin model [16–18]. With four or five collective
degrees, it could depict fission dynamics process appro-
priately and reproduce fission yields distribution well.
Another kind of models is microscopic model, which
based on nucleonic Hamiltonian and solve fission dy-
namics with Schrödinger or Dirac equation in time
domain. For example, time-dependent density func-
tional theory, such as time-dependent superfluid lo-
cal density approximation (TDSLDA) [19, 20], Con-
strained and time-dependent Hartree-Fock calculations
with dynamical Bardeen–Cooper–Schrieffer pairing cor-
relations (CHF+BCS) [21, 22], time dependent Hartree-
Fock-Bogliubov (TDHFB)/TDHF+BCS [23], the adia-
batic time-dependent HFB (ATDHFB) [24] and time-
dependent covariant density functional theory (TD-
CDFT) [25] describe fission process with full quantum
microscopic approaches. At tremendous costs of compu-
tations, these models successfully describe the fission dy-
namics and predict the most probable fission yields. The
great understanding of fission dynamics from microscopic
model are obtained [19, 22]. However, describing fission
∗ zhyx@ciae.ac.cn
cal challenge due to the lacking of fluctuation in initial
state and fission process. The efforts on this direction is
to describe quantum fluctuation by a sampling of initial
conditions followed by TDDFT[26] but without quantum
interference.
An alternative method to include the correlation is
to represent a many-body wave function of the system
with a mixture of states with different shapes. It stim-
ulates the description of fission dynamics with time-
dependent generator coordinate method under Gaussian
overlap approximation (TDGCM+GOA) [27–29]. In the
TDGCM+GOA, fission is assumed as adiabatic process
since the typical time for the motion of individual nucle-
ons inside the fission nucleus (roughly 10−22 s) is roughly
ten times smaller than the time scale of the system’s col-
lective deformation (10−21 s) [29]. Thus, the fission dy-
namics are approximately described in terms of a few
shape coordinates.
Currently, most of the TDGCM+GOA calculations
were performed by using only two degrees of freedom,
usually (q20 , q30 ) or (β2 , β3 ), under adiabatic assump-
tion [30–32]. While, the semiphenomenological and fully
microscopic approaches illustrate that at least four or
five collective variables play a role in the dynamics of
fission [19, 33–37]. Regnier et al. [38] have started some
trials on the rigorous three degrees of freedom calculation
of the PES for 240 Pu in the collective space (q20 , q30 , q40 ),
and their work is still in progress. In Ref. [39], Zhao et
al. did the calculations with the dynamical pairing de-
gree of freedom as the third degree of freedom besides
(β2 , β3 ), and their results also demonstrate the impor-
tance of including more degree of freedom. Furthermore,
one should note that an ad hoc Gaussian smoothing have
to be used at the end of the TDGCM+GOA calculations,
to account for the fluctuations in particle number of the
fragments due to both pairing effects and the finite num-
ber of particles in the neck region for points along the
fission line. Thus, one would expect to develop a micro-
scopic method that can include more collective degrees
 2

and the correlations to account for dynamical fluctua- simplest formulation of GOA assumes that the overlap
tion and non-adiabatic effects, and reasonably describing between two generator states hφq |φq′ i has a Gaussian
fission dynamics and distribution of fission yields. shape,
In this work, we derive a transport equation based on  
a generalized N-dimensional TDGCM+GOA equation to 1
N (q, q′ ) = hφq |φq′ i ≡ exp − (q − q′ )t G(q̄)(q − q′ ) .
describe fission dynamics, in which non-adiabatic effects 2
are introduced by more collective degrees, fluctuations (4)
are introduced by initial state fluctuation and entan- N (q, q′ ) = hφq |φq′ i is peaked functions for q = q′ , and
glement of phase space trajectories. The paper is or- q̄ = (q + q′ )/2. By changing a new collective coordinate
ganized as follows: in Sec.II, the transport equation is α by the relation
obtained by using quantum-mechanics phase space dis- Z
tributions under a “quasi-particle” picture and strategy α(q) = G1/2 (a)da, (5)
of Bogoliubov-Born-Green-Kirkood-Yvon (BBGKY) hi- a∈C0q
erarchy. One of the advantages of this hierarchy is that
correlations from high-order degree can be involved in in terms of which the overlap matrix becomes
the evolution of the one-body phase-space density dis-  
1
tribution. In Sec.III, a numerical recipes for solving the N (α, α′ ) = exp − (α − α′ )2 , (6)
transport equation is provided. Sec.IV is the summary 2
and outlook.
G (q) is the metric of new coordinates of α(q), and G (q)
is the determinant of G.
Within this approximation, the time-dependent Hill-
II. THEORY FRAMWORK
Wheeler equation is reduced to a local, time-dependent
Schrödinger-like equation as
A. Overview of TDGCM for fission
∂g(q, t)
i~ = Ĥcoll (q)g(q, t). (7)
For convenience, we briefly review the TDGCM +GOA ∂t
theory which describes induced fission as a slow adiabatic
process determined by a small number of collective de- g(q, t) is related to the weight function f (q, t) as g =
grees of freedom. Under the Griffin-Hill-Wheeler ansatz, N 1/2 f , and contains all the information about the fis-
the many-body state of fissioning system at any time sion dynamics of system [29]. The collective Hamiltonian
reads Ĥcoll (q) is a local operator acting on g(q, t),
Z
Ĥcoll (q) = (8)
|Ψ(t)i = dq|φ(q)if (q, t). (1) " #
q∈E ~2 X 1 ∂ p ∂
− p G (q)Bkl (q) + V (q) .
The set {|φ(q)i} is a family of the generator states 2 G (q) ∂qk ∂ql
kl
which are the solutions of a constrained Hartree-Fock-
The potential V (q),
Bogoliubov equation. f (q, t) is the complex-valued
weights of the quantum mixture of states. The gener-
V (q) = hq|Ĥ|qi − ǫ0 (q), (9)
ator coordinate q = {q1 , ..., qN }, and each of these qi is a
collective variable chosen based on the physics of fission. with the zero-point energy-correction
The time-dependent Schrödinger equation for the
many-body state of fission system |Ψ(t)i, 1 ij ∂2h
ǫ0 = G (q) i ′j . (10)
d 2 ∂q ∂q q=q′
(Ĥ − i~ )|Ψ(t)i = 0, (2)
dt The symmetric collective inertial tensor B(q) ≡ Bij (q),
can yield an equation of the unknown weight func-  2
tion f (q, t), i.e., the Hill-Wheeler equation with time- 1 km ∂ h(q, q′ ) ∂ 2 h(q, q′ )
Bkl (q) = 2 G (q) −
dependent form, 2~ ∂q m ∂q ′n ∂q m ∂q n
′
  
  i ∂h(q, q )
d Gnl (q),
Z
′ + (11)
dq hφq | Ĥ − i~ |φq′ if (q′ , t) = 0. (3) mn ∂q i
dt q=q′

the expression in braces is the Christoffel symbol of the

Here, Ĥ is the Hamiltonian acting on the full many-body
second kind. h(q, q′ ) is
system. Principally, Eq. (3) can be solved numerically,
but it needs a tremendous amount of computations. To D E
overcome these difficulties, a popular approach named φq |Ĥ|φq′
h(q, q′ ) = . (12)
as Gaussian overlap approximation (GOA) is used. The hφq |φq′ i
 3

They are usually calculated from the nuclear Hamilto- in following to represent the wave function with parti-
nian Ĥ and the generator states |φq i with HFB [30] or cle from 1 to N. Then, we derive a transport equation
RMF+BCS [40]. which can effectively couple one more collective degree
The number of collective degree of freedom are usually of freedom to the degrees currently used. Firstly, we per-
selected as N = 2, and shape coordinates q are the mul- form Wigner transformation [43] on NB1D wave function
tipole moments Q20 and Q30 in Ref. [30–32], or β2 and gN (q1 , · · · , qN ) to get their quantum mechanically phase
β3 as in Refs. [39, 40], and G (q) = 1 Ref. [31]. In this space density fN as,
case, the equation of TDGCM+GOA is
fN (q1 , · · · , qN ; p1 , · · · , pN ) (15)
∂ 1
Z Z
i~ g (q1 , q2 ; t) = (13) = · · · dy1 · · · dyN gN ∗
(q1 − y1 , · · · , qN − yN )
" ∂t # (π~)N
~2 X ∂ ∂ gN (q1 + y1 , · · · , qN + yN )
− Bkl (q1 , q2 ) + V (q1 , q2 ) g (q1 , q2 ; t) .
2 ∂qk ∂ql × exp[−2i(p1 · y1 + · · · + pN · yN )/~].
kl

This equation has been solved by the software package Here pi is the conjugated momentum of qi for quasi-
FELIX-1.0 [31] or FELIX-2.0 [32] with finite element particle i. After a trivial deviation, the corresponding
method. transport equation reads,
∂fN X (b) ∂fN
=− B̄kl (q)pk (16)
B. A transport equation for N-dimensional ∂t ∂ql
kl
TDGCM+GOA X ~ 1
+ ( )λ1 +···+λN −1
2i λ1 ! · · · λN !
The TDGCM has achieved great progress on describ- λ=1,3,···

ing the fission dynamics [30–32, 39–41], but previous cal- ∂ λ1 +···+λN VN (q) ∂ λ1 +···+λN fN
culations in Refs. [33–36, 38] also showed it is necessary ×
∂q1λ1 · · · ∂qN
λN
∂pλ1 1 · · · ∂pλNN
to include more degrees to describe nonadiabatic effects X (b) ∂fN X ∂VN ∂fN
which may arise from the coupling between collective and =− B̄kl (q)pk +
intrinsic degrees of freedom, and invovle dynamical fluc- ∂ql ∂ql ∂pl
kl l
tuations to describe fission products distributions. Now, X ~ 1
the question is that can we effectively involve more collec- + ( )λ1 +···+λN −1
2i λ1 ! · · · λN !
tive degrees of freedom into the equation with two degrees λ=3,···
that we are currently using? ∂ λ1 +···+λN VN (q) ∂ λ1 +···+λN fN
Principally, nuclear shape can be described by an ex- × .
∂q1λ1 · · · ∂qN
λN
∂pλ1 1 · · · ∂pλNN
pansion in spherical harmonics, i.e.,
PN (b)
  Here, λ = i=1 λi and B̄kl (q) is an effective collective
N X λ
X inertia, which is defined as
R(θ, φ, t) = R0 1 + α∗λµ (t)Yλµ (θ, φ) . (14)
 
λ=0 µ=−λ (b) ∗ ∗
B̄kl (q) = Bkl (q − y(1b) ) + Bkl (q − y(2b) ) /2. (17)
The number of shape coordinates (or collective degree
of freedom) N depends on the choice of collective co- ∗
y(1b) ∗
and y(2b) are corrections on q, and their origins can
ordinates or generator coordinates and stage of fission. be found in appendix A. VN (q) is N-body potential.
In the stage of fissionning system from the quasista- Principally, VN (q) = V (q1 , q2 , · · · , qN ). If the N-body
tionary initial state to the outer fission barrier, evolu- potential is calculated from the two-body interaction, i.e.,
tion is slow and fission process can be described by a
small number of collective degree, i.e., a small N , with V (q1 , q2 , · · · , qN ) =
X
V (qi , qj ), (18)
adiabatic approximation[42]. In the stage of saddle-to-
i≤j
scission, the nucleus quickly elongates toward scission
and non-adiabatic effects have to be considered and N the transport equation is simplified as,
may vary with the stage of fission process. Thus, the col-
lective wave function is presented with N degrees, i.e., ∂fN X (b) ∂fN 1 X ∂Vkm ∂fN
=− B̄kl (q)pk + (19)
.
g(q1 , q2 , ..., qN ), for fissioning system, and Eq.(7) will be- ∂t ∂ql 2 ∂qk ∂pk
kl k,m6=k
come a generalized N-dimensional TDGCM+GOA equa-
tion since the degrees are not limited to a few. Vkm is two-body potential between quasi-particle k and
In this work, we interpret the wave function of m, which can be obtained by HFB/RMF+BCS as in
g(q1 , q2 , ..., qN ) for fissioning system as a wave function Refs.[30, 40]. When the N-body potential is obtained
for ‘N-body quasiparticles in 1-Dimension space’ sys- from multi-dimensional PES by HFB/RMF+BCS, trans-
tem (NB1D), and a convention gN (q1 , q2 , ..., qN ) is used port equation of Eq.(16) should be used.
 4

A standard procedure to solve the N -body transport By expressing the fourth terms on the right side of
equation is to use BBGKY hierarchy, in which one-body Eq. (23) as δIcoll , the transport equation can be rewritten
degrees of freedom (DOF) is coupled to two-body DOF as,
that are themselves coupled to three-body DOFs and s s
so forth. As an example, we present the time evolu- ∂fs X X (b) ∗ ∗ ∂fs
+ B̄kl (qs , qs+1 , . . . , qN )pk (24)
P of fs under the condition of V (q1 , q2 , · · · , qN ) =
tion ∂t ∂ql
k=1 l=1
i≤j V (qi , qj ). The s-body phase space density distri- N s
bution fs is defined as, X X (b) ∗ ∗ ∂fs
+ B̄kl (qs , qs+1 , . . . , qN )p∗k
∂ql
fs (q1 , · · · , qs , p1 , · · · , ps ) (20) k=s+1 l=1

1
Z X ∂Vkm ∂fs
= N −s fN (q1 , · · · , qN , p1 , · · · , pN )dΓs+1 · · · dΓN , − = δIcoll .
Ω ∂qk ∂pk
1≤k<m≤s
dΓi = dqi dpi ,
with
here, Ω is volume in phase space. Thus,
s   
N −s ∂Vk,s+1 ∂fs+1
Z X
∂fs (q1 , · · · , qs , p1 , · · · , ps ) δIcoll= dΓs+1(.25)
(21) Ω ∂qk ∂pk
∂t k=1

1 ∂fN (q1 , · · · , qN , p1 , · · · , pN )
Z
= N −s dΓs+1 · · · dΓN As one can see that the δIcoll is related to the phase space
Ω ∂t density fs+1 , and the potential between k and s + 1, i.e.,
Z  X Vk,s+1 .

1 (b) ∂fN X ∂Vkm ∂fN
= N −s − B̄kl (q)pk +
Ω ∂ql ∂qk ∂pk
kl 1≤k<m≤N
dΓs+1 · · · dΓN . III. NUMERICAL RECIPE FOR SOLVING
TRANSPORT EQUATION
One should note that the derivation in this case is dif-
ferent than a system with fixed-mass many particles, be- In this section, we discuss practical numerical recipe of
(b)
cause the inertial B̄kl (q) depends on collective coordi- the time evolution of f2 . In the following discussions, we
(b)
nates. To overcome this difficulty, we move the B̄kl (q) take q1 = β2 and q2 = β3 .
out from the integration by assuming the following rela- Given s = 2, the time evolution of f2 becomes,
tionship, i.e., ∂f2 (q1 , q2 ; p1 , p2 )
(26)
∂t
Z
Bkl (q)O(q, p)dΓs+1 · · · dΓN = (22) 2 X 2
(b) ∗ ∂f2
X
Z + pk B̄kl (q1 , q2 , q3∗ , · · · , qN )
∗
Bkl (qs , qs+1 ∗
, · · · , qN ) O(q, p)dΓs+1 · · · dΓN , ∂ql
k=1 l=1
N X
2
X (b) ∂f2
The ∗
qs+1 ,··· ∗
, qN
depend on O(q, p), and its values will + p∗k B̄kl (q1 , q2 , q3∗ , · · · , qN
∗
)
∂ql
be fixed once the O(q, p) is determined. k=3 l=1
By using above relationship, we get 2 X 2
X 1 ∂Vkl ∂f2
− = δIcoll .
∂fs
s s
∂fs 2 ∂qk ∂pk
X X (b)
∗ ∗ k=1 l6=k
=− B̄kl (qs , qs+1 , . . . , qN )pk (23)
∂t ∂ql The time evolution of f2 is not only related to the col-
k=1 l=1
N s lective inertia Bkl and potential Vkl , but also related to
X X (b) ∗ ∗ ∂fs
− B̄kl (qs , qs+1 , . . . , qN )p∗k f3 and potential between qi=1,2 and q3 which actually
∂ql reflect the high order correlation between different shape
k=s+1 l=1
s   coordinates.
∂Vkm ∂fs N −s ∂Vk,s+1
X Z X
+ +
∂qk ∂pk Ω ∂qk
1≤k<m≤s k=1
  A. Initialization
∂fs+1
× dΓs+1 .
∂pk
For the TDGCM+GOA equation, the starting point is
(b)
a collective wave packet at initial time, which represents
∗ ∗
The collective inertial B̄kl (qs , qs+1 , . . . , qN ) only varies the compound nucleus after excitation by absorption of
∗ ∗
with qs , since the values of qs+1 , . . . , qN will be fixed a low-energy neutron or photon. One choice is to use
once the integrand was selected. But the values of the quasibound state [30], i.e., collective ground state
(b) ∗ ∗
B̄kl (qs , qs+1 , . . . , qN ) could be different from Bkl (qs ). g0 (q, t = 0), and q = {q1 , q2 }. Its modulus is roughly
The details of the derivation are in appendix B. a Gaussian centered on the minimum of the potential
 5

Vmin (q), which is achieved by extrapolating inner poten- to Eq.(26) without considering the collision term, i.e.,
tial barrier with a quadratic form. The width of this
2 2
Gaussian is characterized by a width close to the dimen- ∂f2 X X (b) ∂f2
sion of the first potential well. To describe fission, g0 =− B̄kl (q1 , q2 , q3∗ , . . . , qN
∗
)pk (31)
∂t ∂ql
has to boost in q1 (β2 ) direction for simulating the fission k=1 l=1

events, i.e., 2
N X
X (b) ∂f2
− B̄kl (q1 , q2 , q3∗ , . . . , qN
∗
)p∗k
∂ql
k=3 l=1
g(q, t = 0) = g0 (q) exp(ikq1 ), (27)
X ∂Vkm ∂f2
+ .
since its average energy is below the fission barrier. The ∂qk ∂pk
1≤k<m≤2
amplitude k of the boost is determined so that the av-
erage energy of the initial state lies few MeV above the The equation of motion of test particle ki becomes,
inner fission barrier.
2
For the transport equation described in this work, we (b)
X
q̇ki = B̄kl (q1 , q2 , q3∗ , . . . , qN
∗
)pli (32)
need to do the initialization in {q1 , q2 ; p1 , p2 } space ac- l=1
cording the phase space density f2 . The initial f2 , which N
represents the compound nucleus after the absorption of X (b)
+ B̄kl (q1 , q2 , q3∗ , . . . , qN
∗
)p∗li
a low-energy neutron, can be realized by doing Wigner
l=3
transformation on g0 (q), i.e.,
1 X ∂Vkl
ṗki = − , (33)
f2 (q1 , q2 ; p1 , p2 , t = 0) = (28) 2 ∂qki
1≤l≤2
1
Z
dy1 dy2 g0∗ (q + y)g0 (q − y)e2ip·y/~ . The abbreviation of ki in the lower index means par-
(π~)2 ticle k and its ith test-particle, i.e., k = 1, 2 and i =
1, · · · , Ntest .
Numerically, a test particle method is used to describe As shown in Eq.(32), the evolution of position of
f2 (q1 , q2 ; p1 , p2 , t = 0), which means each quasiparticle test particle ki not only depend on the collective
is replaced by a large number of test particles and the (b)
inertia B̄kl (q1 , q2 , q3∗ , . . . , qN∗
) and momentum of pli
method was first proposed by Wong in nuclear Vlasov with l = 1 and 2, but also on collective inertia
model [44]. (b)
B̄kl (q1 , q2 , q3∗ , . . . , qN
∗
) and effective momentum of parti-
∗
cle of pki with l ≥ 3. In the calculations, one can approx-
f2 (q1 , q2 ; p1 , p2 , t = 0) = (29) (b)
2 N
imate B̄kl (q1 , q2 , q3∗ , . . . , qN∗
) = η(q3∗ , . . . , qN
∗
)Bkl (q1 , q2 )
test
1 X X for l ≤ 2, in which the parameter η depend on
δ(qki − q̄ki (t))δ(pki − p̄ki (t)).
Ntest the selection of qk≥3 . Alternatively, one can use η
k=1 i=1
as a phenomenological parameter to fit the data of
(b)
qki and pki are the time-dependent coordinates and mo- fission yield. The value of B̄kl (q1 , q2 , q3∗ , . . . , qN ∗
) =
menta of the test-particle i for particle k=1 or 2. q̄ki (t = η(q3∗ , . . . , qN
∗
)Bkl (q1 , q2 ) for l ≥ 3 can be learned if
0) and p̄ki (t = 0) are sampled according to the f2 . Ntest the three-dimensional collective inertia can be provided.
is the number of test particles. Once p̄ki (t = 0)’s are Within the framework of this equation, the correlations
(b)
obtained, p̄1i (t = 0) is boosted as p̄1i (t = 0) + k. k can beyond q1 and q2 are involved via B̄kl (q1 , q2 , q3∗ , . . . , qN ∗
).
be obtained as same as in TDGCM initialization. In the second term of Eq.(32), the contribution of p∗ki can
also be thought as friction effects.
The momentum of test particle update according to
Eq.(33), and it will depend on the potential Vkm . Inside
B. Time evolution the scission line (hypersurface), potential Vkm can be ob-
tained by RMF+BCS/HFB model. Out of the scission
To solve the transport equations with test particle hypersurface, the fissioning trajectories will not go back
method, we separately treat the left and right hand of and one can set the potential ∂Vkm /∂qk = 0.
Eq.(26) as same as in the transport model used for sim- For high order correlation term in Eq. (25), i.e., the
ulating the heavy ion collisions[45]. collision term in our approach, it comes from,
The equation of motion of test particles under the R P2  ∂Vk,3   ∂f3 
mean field can be obtained by comparing, δIcoll = NΩ−2 k=1 ∂qk ∂pk dΓ3 . (34)

2   Suppose f3 can be expressed as,

df2 ∂f2 (q1 , q2 ; p1 , p2 ) X ∂f2 ∂qk ∂f2 ∂pk
= + + = 0,
dt ∂t ∂qk ∂t ∂pk ∂t f3 (q1 , q2 , q3 ; p1 , p2 , p3 ) = f2 (q1 , q2 ; p1 , p2 )f1 (q3 ; p3 ),
k=1
(30) (35)

Thus,
2   
X ∂ Φ̄k ∂f2
δIcoll = , (36)
∂qk ∂pk
k=1
and potential Φ̄k means,
N −2
Z Here, R and L means the region of right and left of neck of
Φ̄k = Vk,3 (qk , q3 )f1 (q3 , p3 )dΓ3 ,
Ω coordinates.
which reflect the potential of k particle felt by surround-
ing particles. However, exact calculations of Eq.(36)
and Eq.(37) are impossible since they always beyond one
more degree we have.
One effective way to handle the collision term is to use
a random collision among test particles. For example,
one first select three particles among 2Ntest test parti-
cles according to “collision section”, and then, perform a
random collision as follows,
pk1 + pk2 + pk3 = p′k1 + p′k2 + p′k3 .
p′k1 , p′k2 and p′k3 will be determined by using the Monte-
Carlo sampling under the momentum conservation,
p′k1 = (pk1 + pk2 + pk3 ) ∗ ξ1 ,
(p′k2 + p′k3 ) = (pk1 + pk2 + pk3 ) ∗ (1 − ξ1 ),
p′k2 = (p′k2 + p′k3 ) ∗ ξ2 ,
p′k3 = (p′k2 + p′k3 ) ∗ (1 − ξ2 ).
ξ1 and ξ2 are the random number satisfy a certain dis-
tribution. The collision among test particles during the
evolution describe entanglement among different trajec-
tories of test particles. In practical calculations, the col-
lision probability can be adjusted by introducing a ‘cross
section’ of three-body collision. After random collision,
the values of momentum of test particle will be randomly
modified. As a result, the fluctuation on q will be au-
tomatically involved and the mass distribution of fission
fragment can be expected.
C. Fission fragments distributions
In this work, we only focused on fission fragment
mass/charge distribution. First, one need to search scis-
sion line (or hypersurface) on potential energy surface,
which is composed from many scission points qsci . In-
side the scission line(hypersurface), the nucleus is whole.
Out of scission line (hypersurface), the system becomes
two well-separated fragments which are connected by a
thin neck. Thus, each scission points qsci is associated
with a given fragmentation (AL , AR ). AL and AR means
the mass of fission fragment in the left and right of neck,
respectively. The fission fragment mass can be obtained
from the integration of single-body density over the do-
6
main of left or right of neck,
Z
AL = drρ(r), (43)
Zr∈L
AR = drρ(r).
r∈R
(37) fissioning system. ρ(r) is constructed from the collective
In transport model approach, the probability of mea-
sured the fission fragment AL and AR , i.e., Y (AL ) and
Y (AR ) can also be obtained from the time integrated flux
through the hypersurface element S. By using the test
particle method, it will be obtained by counting the num-
ber of test particles across the hypersurface S at scission
point, i.e., with t → +∞,
Z Z
Y (A, S) = fs (qs , ps , t)dps dqs (44)
qs >qsci
2 Ntest
(38) 1 X X
= Θ(qki − q̄ki,sci (t)).
2Ntest i=1
k=1
Thus, the yield of mass of fragment
X
(39) Y (A) = Y (A, S). (45)
S
(40)
(41) The sum on S runs over the whole scission hypersurface.
(42)
IV. SUMMARY AND OUTLOOK
In this work, we derive a transport equation based
on a generalized N-dimensional TDGCM+GOA equation
to describe fission dynamics. The transport equation is
obtained by using quantum-mechanics phase space dis-
tributions under a “quasi-particle” picture and strategy
of BBGKY hierarchy. The advantages of this transport
equation is that time evolution of s-body phase space
density distribution is coupled with s + 1-body phase
space density distributions. Thus, one can expect that
non-adiabatic effects and dynamical fluctuations could
be introduced by involving more collective degrees and
entanglement of phase space trajectories.
Different than directly solving the TDGCM+GOA
equation with finite elements method, our approach is
realized by using the test particle method. The coordi-
nates and momentum of test particles in initialization of
fissioning system are sampled according to initial phase
space density distribution of system. The time evolu-
tion of test particles are governed by a Hamiltonian-like
equation coupled with a random scattering between test
particles, which will naturally provide a fluctuation on
the mass of fission fragments. Finally, the numerical re-
sults on this transport equations are still on the way,
since we need to select reasonable collective coordinates
to obtain the results of PES and collective inertia, and
 7

the high order effects of degree of freedom on collective is different than the N-body system with fixed particle
inertia should also be investigated in this approach before mass.
presenting numerical results. In coordinate space, the kinetic energy terms in
Eq. (A3) are as follows,
i~ 1
Z
ACKNOWLEDGEMENTS Mkl = − dy1 · · · dyN e−2ip·y/~ (A4)
2 (π~)N
∂g ∗ (q − y)
  
The authors thank Zhuxia Li, Zaochun Gao and ∂
Bkl (q − y) N gN (q + y)
Siyu Zhuo for reading the manuscript and providing ∂yk ∂yl
useful feedback. This work was partly supported by
 
∗ ∂ ∂gN (q + y)
the National Natural Science Foundation of China Nos. −gN (q − y) Bkl (q + y)
∂yk ∂yl
11875323, 12275359, 11875225, 11705163, 11790320,
= Mkl,1 + Mkl,2 .
11790323, and 11961141003, the National Key R&D Pro-
∗
gram of China under Grant No. 2018 YFA0404404, Since the gN and gN depend on the integration vari-
the Continuous Basic Scientific Research Project (No. able yk , one can replace the differentiations with respect
WDJC-2019-13, BJ20002501), Key Laboratory of Nu- to qk + yk by differentiations with respect to yk in deriva-
clear Data foundation (No.JCKY2022201C158) and tions. By doing one partial integration with respect to
the funding of China Institute of Atomic Energy yk , one has
YZ222407001301. The Leading Innovation Project of Mkl,1 = (A5)
the CNNC under Grant No. LC192209000701, No. +∞
∗
LC202309000201. i~ 1 ∂gN (q − y)
− Bkl (q − y) gN (q + y)e−2ip·y/~
2 (π~)N ∂yl −∞
∗
i~ 1 ∂gN (q − y)
Z
Appendix A: Derivation of transport equation + N
dy 1 · · · dy N B kl (q − y)
2 (π~) ∂yl
∂  
The equation of motion of gN is determined by the × gN (q + y)e−2ip·y/~
Schrödinger-like equation, i.e., ∂yk

∂ The first term in Eq. (A5) vanishes due to the boundary

i~ gN (q, t) = (A1)
" ∂t # condition at infinity, and second term becomes
~2 X ∂ ∂ i~ 1
Z
− Bkl (q) + VN (q) gN (q, t) . Mkl,1 = dy1 · · · dyN (A6)
2 ∂qk ∂ql 2 (π~)N
kl
∂g ∗ (q − y) ∂  
By using the Wigner transformation [43], fN (q, p) is ob- ×Bkl (q − y) N gN (q + y)e−2ip·y/~
tained. The equation of motion of fN (q, p) reads as, ∂yl ∂yk
i~ 1
Z
∂fN (q, p, t) 1
Z = dy1 · · · dyN s
= dy · · · dy e −2ip·y/~
(A2) 2 (π~)N
1 N
∂t (π~)N ∂g ∗ (q − y) ∂gN (q + y) −2ip·y/~

 ∗  ×Bkl (q − y) N e
∂gN (q − y) ∗ ∂gN (q + y) ∂yl ∂yk
gN (q + y) + gN (q − y) .
∂t ∂t

2ipk
+gN (q + y)e−2ip·y/~ (− )
where p is the conjugate momentum of q. ~
∗ i~ 1
Z
In the derivations of Eq. (A2), the ∂gN /∂t and ∂gN /∂t ∗
= Bkl (q − y(1a) ) dy1 · · · dyN (A7)
are replaced with the right hand side of Eq. (A1) and we 2 (π~)N
have, ∂gN ∗
(q − y) ∂gN (q + y) −2ip·y/~
e
∂fN (q, p, t) 1 ∂yl ∂yk
Z
−2ip·y/~
= N
dy1 · · · dyN e (A3) i~ 1
Z
∂t (π~) + B (q − y ∗
) dy1 · · · dyN
kl (1b)
X
i~ ∂

∂gN ∗
(q − y)
 2 (π~)N
− Bkl (q − y) gN (q + y) ∂gN ∗
(q − y) 2ipk
2 ∂(qk − yk ) ∂(ql − yl ) gN (q + y)e−2ip·y/~ (− ).
kl
  ∂yl ~
i~ ∗ ∂ ∂gN (q + y)
+ gN (q − y) Bkl (q + y) In above derivations, the Bkl (q − y) is moved out by
2 ∂(qk + yk ) ∂(ql + yl )
 assuming the following relationship, i.e.,
i ∗ Z
+ (V (q − y) − V (q + y)) gN (q − y)gN (q + y) .
~ Bkl (q − y)O(q, ∂/∂q)dy1 · · · dyN = (A8)
One should note that the kinetic energy term contains the
Z
∗
collective coordinate q dependence of inertia B , which Bkl (q − y(I) ) O(q, ∂/∂q)dy1 · · · dyN .
kl
 8

Similarly, the Mkl,2 becomes and VN (q − y).

i~ 1
Z
1
Z
∗
Mkl,2 = − Bkl (q + y(2a) ) dy1 · · · dyN(A9) N = dy1 · · · dyN e−2ip·y/~ (A12)
2 (π~)N (π~)
N
∗
∂gN (q − y) ∂gN (q + y) −2ip·y/~ i ∗
e × [V (q − y) − V (q + y)] gN (q − y)gN (q + y)
∂yk ∂yl ~
1
Z
i~ 1
Z
− Bkl (q + y(2b)∗
) dy1 · · · dyN = N
dy1 · · · dyN e−2ip·y
2 (π~)N (π~)
∗ ∂gN (q + y) −2ip·y/~ 2ipk 2i X 1 ∂ λ1 +···λN VN (q)
gN (q − y) e (− ) ×
∂yl ~ ~ λN
λ1 ! · · · λN ! ∂q1λ1 · · · ∂qN
λ

y1λ1 · · · yNλN ∗
gN (q − y) gN (q + y)
(a) (b) (a) (b)
By defining B̄kl , B̄kl , δBkl and δBkl as, 2i X ~ 1
= ( )λ1 +···+λN
~ 2i λ1 ! · · · λN !
  λ
λ1 +···+λN
(a)
B̄kl ∗
= Bkl (q − y(1a) ∗
) + Bkl (q + y(2a) ) /2, ∂ VN (q) ∂ λ1 +···+λN fN
×
  ∂q1λ1 λN
· · · ∂qN ∂pλ1 1 · · · ∂pλNN
(b) ∗ ∗
B̄kl = Bkl (q − y(1b) ) + Bkl (q + y(2b) ) /2,
Finally, Eq. (A3) could be written as
 
(a) ∗ ∗
δBkl = Bkl (q − y(1a) ) − Bkl (q + y(2a) ) ,
 
(b) ∗ ∗
δBkl = Bkl (q − y(2a) ) − Bkl (q + y(2b) ) ,
∂fN (q, p, t) X (b) ∂fN
=− pk B̄kl (q) (A13)
∂t ∂ql
(a) (b) kl
and assuming δBkl ≈ 0 and δBkl ≈ 0, Mkl becomes X ~ 1
+ ( )λ1 +···+λN −1
2i λ1 ! · · · λN !
λ
Mkl = Mkl,1 + Mkl,2 (A10) λ1 +···+λN
∂ VN (q) ∂ λ1 +···+λN fN
i~ (a) 1 ×
Z
= − B̄kl dy1 · · · dyN e−2ip·y/~ ∂q1λ1 λN
· · · ∂qN ∂pλ1 1 · · · ∂pλNN
2 (π~)N
 ∗ ∗ N
∂fN ∂V ∂fN

∂gN (q − y) ∂gN (q + y) ∂gN (q − y) ∂gN (q + y) X (b)
X
− =− pk B̄kl (q) + ·
∂ql ∂qk ∂qk ∂ql ∂ql ∂ql ∂pl
kl l
i~ (b) 1
Z
− B̄kl dy1 · · · dyN e−2ip·y/~
X ~ 1
2 (π~)N + ( )λ1 +···+λN −1
2i λ1 ! · · · λN !
 ∗  λ
∂gN (q − y) ∗ ∂gN (q + y) λ1 +···+λN
g(q + y) − gN (q − y) ∂ VN (q) ∂ λ1 +···+λN fN
∂ql ∂ql × ..
2ipk ∂q1λ1 λN
· · · ∂qN ∂pλ1 1 · · · ∂pλNN
(− ).
~
where all λ1 , · · · , λN are non-negative integer values and
In Eq.(A10), an identical relationship between differen- λ1 + · · · + λN is an odd number. This is a general form
tial with respect to yk (yl ) and with respect to qk (ql ) is of transport equation for TDGCM+GOA.
used.
(a)
When the potential is calculated from the two-body
P to the symmetric property of B̄kl and summation
Due interaction, i.e.,
of kl in Eq.(A3), the contributions from first term in
Eq.(A10) vanishes. Thus, the kinetic part can be written X
as, V (q1 , q2 , · · · , qN ) = V (qi , qj ), (A14)
i≤j

(b) ∂fN
Mkl = −pk B̄kl (A11) the equation is further simplified as,
∂ql

∂fN X (b) ∂fN X ∂Vkm ∂fN

For the potential part in Eq. (A3), a Taylor series with =− B̄kl (q)pk + . (A15)
respect to q is performed with potential fields VN (q + y) ∂t ∂ql ∂qk ∂pk
kl k≤m
 9

Appendix B: Time evolution of s-body phase space partial integration with respect to ql and the result is
density distribution
Z X 
1 (b) ∂fN
I1 = − B̄kl (q)pk dΓs+1 · · · dΓN
The s-body phase space density is defined as, ΩN −s ∂ql
kl
X (b)
∗ ∗
=− B̄kl (qs , qs+1 , . . . , qN )
kl
Z  
1 ∂fN
fs (q1 , · · · , qs , p1 , · · · , ps ) (B1) × pk dΓs+1 · · · dΓN
ΩN −s ∂ql
1
Z
= N −s fN (q1 , · · · , qN , p1 , · · · , pN )dΓs+1 · · · dΓN , s X
s
∂fs
Ω (b)
X
∗ ∗
=− B̄kl (qs , qs+1 , . . . , qN )pk
dΓi = dqi dpi . ∂ql
k=1 l=1
N s
(b)
X X
∗ ∗
− B̄kl (qs , qs+1 , . . . , qN )
k=s+1 l=1
When the potential is calculated from the two-body in- 1 ∂fN
Z
teraction, the time-dependent probability distribution × pk dΓs+1 · · · dΓN
ΩN −s ∂ql
fs is obtained by the similar strategy of the derivation s X
s
of the Bogoliubov-Born-Green-Kirkood-Yvon (BBGKY)
X (b) ∗ ∗ ∂fs
=− B̄kl (qs , qs+1 , . . . , qN )pk − δI1 (B4)
hierarchy, i.e., ∂ql
k=1 l=1

In above derivation, we use the term of

PN (b) ql →∞
∂fs (q1 , · · · , qs , p1 , · · · , ps ) B̄
l=s+1 kl (q)p f |
k N ql →−∞ = 0. This is because
the finite values of fN , which means fN (q) = 0 at
Z ∂t q → ±∞. The δI1 is defined as,
1 ∂fN (q1 , · · · , qN , p1 , · · · , pN )
= N −s dΓs+1 · · · dΓN
Ω ∂t
N s
 X
1 ∂fN
Z
(b)
= N −s dΓs+1 · · · dΓN − B̄kl (q)pk (b)
X X
∗ ∗
Ω ∂ql δI1 = B̄kl (qs , qs+1 , . . . , qN ) (B5)
kl k=s+1 l=1
X ∂Vkm ∂fN 
1 ∂fN
Z
+ . (B2) · pk dΓs+1 · · · dΓN
∂qk ∂pk ΩN −s ∂ql
k≤m
N s
X X (b) ∗ ∗ ∂fs
= B̄kl (qs , qs+1 , . . . , qN )p∗k
∂ql
k=s+1 l=1
Different than the transport equation for fixed-mass
many-particle system, the inertia Bkl (q) depends on the
which is connected to the N -body density distribution
coordinate and it causes the equation much more com-
fN , and reflects how the momentum field evolve with the
plexity.
coordinates.
To avoid the difficulty caused by B̄kl (q), we move the The second term in Eq. (B2) reads,
B̄kl out from the integration by using the equivalent of
the integration, i.e.,
1 ∂Vkm ∂fN
Z X
I3 = dΓs+1 · · · dΓN (B6)
ΩN −s ∂qk ∂pk
k≤m
1 X ∂Vkm ∂fN
Z
= dΓs+1 · · · dΓN
Z
B̄kl (q)O(q, p)dΓs+1 · · · dΓN = (B3) ΩN −s ∂qk ∂pk
1≤k≤m≤s
l 
Z  
1 ∂Vk,s+1 ∂fN
Z X
∗ ∗
B̄kl (qs , qs+1 , · · · , qN ) O(q, p)dΓs+1 · · · dΓN . + (N − s) dΓs+1 · · · dΓN
ΩN −s ∂pk ∂qk
k=1
Z s  
X ∂Vkm ∂fs N − s X ∂Vk,s+1
= +
∂qk ∂pk Ω ∂qk
1≤k≤m≤s k=1
Consequently, the derivation will be simplified.  
∂fs+1
× dΓs+1
For the first term in r.h.s of Eq. (B2), we perform one ∂pk
 10

Finally, the time evolution of fs is,

s s
∂fs X X (b)
∗ ∗ ∂fs
=− B̄kl (qs , qs+1 , . . . , qN )pk (B7)
∂t ∂ql
k=1 l=1
N s
X X (b) ∗ ∗ ∂fs
− B̄kl (qs , qs+1 , . . . , qN )p∗k
∂ql
k=s+1 l=1
s  
∂Vkm ∂fs N −s ∂Vk,s+1
X Z X
− +
∂qk ∂pk Ω ∂qk
1≤k≤m≤s k=1
 
∂fs+1
× dΓs+1
∂pk

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