0 views

Original Title: 1991_A New Method of Deducing Atomic Spectroscopic Terms

Uploaded by linda

- 00320___3185a4cecd30fca0aa99325b8b2b830c
- MSE160 Custom Textbook Solutions
- Spin, Helicity and the Dirac Equation
- nbde Boards Radiology 14
- Structure of Atom MAster Explanation PRESS4
- Properties of Spins
- Pattern engineering
- MLE1101 - Tutorial 1 - Suggested Solutions
- problem set in mathematical methods of physics
- Electronic Confinguration Flashcard
- L2 Intro Mat Eng Ch2 S17 Class
- R.F. Casten - Nuclear Structure From a Simple Perspective (Dragged)
- Foundations and Applications of Quantum Chemistry
- Jitendra Esr
- How_Good_is
- ElectConfig-wkst
- L12 - IPE
- First Term Class XI 2015-16 Class XI 2015-2016
- SPINTRONICS
- PhD.F09B 1ohei6d

You are on page 1of 3

Zhao Sen

Department of Chemistry, Hebei Normal University, Shijiazhuang, P.R. of China

Zheng Kemln

Department of Pharmacy, Hebel Medical College, Shijiazhuang. P.R. of China

Wu Fenglin and Zhi Yinze

Department of Chemistry, Hebel Education College, Shijiazhuang, P.R. of China

-443 = m, (1)

spectroscopic terms of equivalent configurations. They are:

the method of progressive extinction (1-3), the method of

permutation of groups ( 4 , 5 ) , and the method of quick com- For each factored spin-state pair, we only take the values of

putation (6, 7). All are complicated and tedious. For exam- Ms 2 0.

ole. the fS confieuration has 26.334 microstates. and p e o ~ l e (2) Compute the M L values, semimicrostates, and the

ran hardly get the spectroscopic terms by manual c&& number of semimicrostates of each a (or 8)spin state.

tion. Thouehan IBM-PC/XTmicrocomouter can be used to Semimicrostaws are different from common microstates.

compute tLe spectroscopic terms, it takes much time, for In microstates each orbital may contain electrons of a,3 spin

example, the ga configuration takes 96 h. We report a new states, hut for semimicrostatei only one electron of a (or 8)

method that solves the problem of finding the atomic spec- spin state may be placed in each orbital. The MLvalue for a

semimicrostate equals the sum of the mr values of the elec-

troscopic terms of equivalent configuration of multielec-

trons and can be performed by manual calculation. Up to trons in the occupied orbitals. Thus,

now, the spectroscopic terms given in the literature are only

those for the sX,px,d', f* (8)and gr (9) configurations. By use M

" 1m,, (2)

of a computer and themethod reported herein, we can deter-

mine the snectroscooic terms of h'. . i"..i*.

k".. and lXconfieura- For example, the (e:)(e$) spin-state pair of the fS configura-

tions. The npectroscopic terms of even higher configuration tion possesses two kinds of spin states and total spin magnet

mav be calculated if the comouter oossesses hieh aualirv. It +

quantumnumber is Ms = 3 % 2 X (-11%) = %. For the three

takks between 1 and 10 min to ieduce all ;pe&os&pic electrons of the e: semimicrostates of the f5 configuration,

terms for the listed electronic configurations. the m,values line UD from the maximum to minimum as 3.2.

1; hence, the totalo;bital magnet quantum numberisM,. = 3

Deduclng Process +

+ ? 1 = 6. There is only one semimicrostate for the el soin

(1) Factor equivalent electron configurations into a and @ state with MI. = 6, and it can be represented by using ;he-m~

spinstates. For example, thefSconfiguration can he factored values 3 , 2 , 1 of the three electrons. We set 3 , 2 , 1 as the three

into (ez), (e4,)(e$, and (e;)(ei). Do this until the number of digits 321, and this serves to designate the single semimi-

electrons of the two kinds of spin states is equal or the crostate. To find the number of semimicrostates of ML = 5,

difference between them is one. The total spinmagnet quan- subtract 1 from the right most digit of 321, thus leaving 320.

tum number may he calculated as Continue the subtraction process since there are no repeat

Table 1. MLValue ol e'Spln Slate, the Semlmlcrostate, and the Semlmlcrortale Number ol I NConflgurallon

Type of Number of

Eiectronlc spin MI value of .Semimicrostate ~emimiw~s~le~

configuration state semimicrostate Designation with that M~value

pN e' 1 1 1

0 0 1

dN e' 2 2 1

1 1 1

0 0 1

e2 3 21 1

2 20 1

1 2-1 10 2

0 2-2 1-1 2

e' 3 3 1

2 2 1

1 1 1

0 0 1

e2 5 32 1

4 31 1

311, and finally 221 by subtracting 1from the left most digit L = 0, 1, 2, 3, 4, 5

of 321. Since the two semimicrostates 311 and 221 have S P D F G H

repeated digits, cancel them; thus, only the 320 semimicros-

tate is left for M L = 5. Cancel identical semimicrostates Thus we get the atomic spectroscopic term H and its corre-

whenever tbev aonear. Follow the above method until the rn, sponding number 3, i.e., H (3).

of each orbital type is a t its minimum value (-3 for f elec-

trons). . the Drocess when the M L value for each semi-

. Reneat

microstate is positive or zero, Mr. = 0. This produces the Examples

results seen in the bottom section of Table 1 for the e i Deduce the spectroscopic terms of the f5 configuration.

semimicrostate of the fNelectronic configuration. Three spin-state pairs arise, and each is analyzed as shown

According to complementary principle of electrons and below.

holes. the number of semimicrostates ~roducedbv the ei and

e[(21'+ 1) - i] spin states of the 1'"-configuration are the (1) Ms = 512 set, (e:). (See Table 2, and note that this table is

same. For the pN configuration, the number of semimicros- simply generated from the ei only for the fN configuration in

tates produced by the e' spin state of the pN configuration is Table 1by use of the electron hole correspondence.)

(2) Ms = 312 set, (e:)(e$. (See Tables 3,4, and 5, and again realize

equal to that of e3-'spin state. that the e: is equivalent to the el only in Table 1.)

(3) Me is used to represent the M L value of the a spin (3) Ms = 112 set, ( e ! ) ( e i ) . (See Tables 6,7, and 8.)

state; M fc, that of the j3 spin state. Here M;, M& 2 0. The

notation used in the following equation is to set a as the M; Now we arrange the number pairs of ML-Ms found a t the

value and to set f(a) as the number of ME values. Similarly, bottom of Tables 2,5, and 8 to form the matrix for the atomic

set the Mf value as j3 and the number of MLvalues as g(j3). A spectroscopic terms. (See Table 9.)

M L value is designated as i, and the number of ML values is Each number on the left side of the parentheses is the

b(i). Thus we have the following equation. microstate number, and the number in the parentheses is

the number of the spectroscopic terms for each line in Table

9. The first microstate number of each line is the number of

the spectroscopic terms with the corresponding M L and MS

a,p Z 0 for the first item, or# > 0 for the second and third values. The calculation is carried out from the leftmost line

itemsintheeq3,andi=0,1,2,3,4,.... to rieht line. and then uo to down. Startine the calculation

~ ~

The M L value and its corresponding number of a and 3j with-the second microstab number of each cne, every micro-

spin states are calculated by use of the eq 3, and the Mr. and state number is reduced by its above neighbor microstate

MMqvalues are used to generate a ML-Ms matrix (see Table number as well as the numbers in the parentheses with the

9);and then the total orbital angular-momentum quantum same M L value to the immediate left. For example, ML = 5,

numher L values and its corresponding number are obtained the number (7)of the spectroscopic terms in 35 (7) on the

by the M L values, and finally the atomic spectroscopic terms riehtmost line comes from 35 - 24 - (3) - (1) (with same M L

and its corresponding number are found out by use of the L vzue). The numbers obtained from the calculation (the

values and its corresponding number, e.g. M L 5 L. numbers in the parentheses in Table 9) are the numbers of

Table 2. The M f Value of the e: Spln State wlth M f Value Table 6. The Mlf Value of the eS.Spln State wlth the MP Value

Number Number

Table 3. The M f Value ol the e:Spln State wlth the M f Value Table 7. 6

The M! Value of the Spln State wlth the M! Value

Number Number

,"e 6 5 4 3 2 1 0 0 B 5 4 3 2 1 0

f ( 4 1 1 2 3 4 4 5 ~(0) 1 1 2 2 3 3

Table 4. he ~f Value of the e) spin State w~ththe M! Value Table 8. The MLValue of (e%e$) Spln States wlth the MI Value

Number N.mbar

Number

Ms

(i.e.,L value), Ms value (ie., S value). Thus, the numbers of

the spectroscopic terms of the fS configuration represented

by the matrix in Table 9 are shown below.

=(H.F. P)

Literature Cited

1. Zuohua. Tang.Huaxue Tangboo, Chinese Chemicol Soeisty 1982,11,57.

2. Hyde. K. E. J. Chem. Educ. 1975,52.87. 6. Guofan, Liu.Hunxus Tongboo, Chinese Chemicol Soeiaty LYS,II. 58.

3. Lingwin. Zheo Huarue Tongboo. Chinese ChamieolSoci~fy19845.47. 7. McDaniei, D. H. J. Chem. Edue. 1917,54,147.

4. Daizheng, Liao; Longquiso. Hu. Huarus Tongbno, Chinere Ch~micolSociety 1984.4. 8. Condon, E. U.;Shertley. G. H.The Theory of Atomic Spectm; Cambridge University:

54. Cambridge 1959.

5. Cur1.R. F.,Jr.; Kilpatriek. J.E. Am. J,Phys. 1960.28. 367. 9. Xinhua, Cai. Computer with Applieolion Chemistry 1988.5(1), 18.

- 00320___3185a4cecd30fca0aa99325b8b2b830cUploaded byKetan
- MSE160 Custom Textbook SolutionsUploaded bytal4444
- Spin, Helicity and the Dirac EquationUploaded byItaman Cavalcanti de Oliveira
- nbde Boards Radiology 14Uploaded byamitdineshp
- Structure of Atom MAster Explanation PRESS4Uploaded byChad Ashley Vandenberg
- Properties of SpinsUploaded byOmSilence2651
- Pattern engineeringUploaded bymaliktarry
- MLE1101 - Tutorial 1 - Suggested SolutionsUploaded byYin Hau
- problem set in mathematical methods of physicsUploaded byJustin Brock
- Electronic Confinguration FlashcardUploaded bymajji satish
- L2 Intro Mat Eng Ch2 S17 ClassUploaded bygkxfqkqxvg
- R.F. Casten - Nuclear Structure From a Simple Perspective (Dragged)Uploaded bySorin Ujeniuc
- Foundations and Applications of Quantum ChemistryUploaded byLonelySpooky
- Jitendra EsrUploaded byjitendra kumar gurjar
- How_Good_isUploaded byanacrisst
- ElectConfig-wkstUploaded byR Mathew
- L12 - IPEUploaded bykerbla
- First Term Class XI 2015-16 Class XI 2015-2016Uploaded bypokeyball
- SPINTRONICSUploaded byAbhinav Singh
- PhD.F09B 1ohei6dUploaded byrizal123
- UW Phys 421 HW2 Fall 2012Uploaded byCody Messick
- MIT22_02S12_lec_ch4.pdfUploaded byLoubnan
- 282Uploaded byNurul Fahmi Arief
- Lecture2_SixthPostulate_Spin2019.pdfUploaded byPraveen Chand Thakuri
- Chemistry samplexUploaded byGeorgeMiguelValenzuelaObusan
- 777_Ch02Uploaded byYuxdar Contell
- b Fengs Theory Part the Origin of Charge and the Unified Field Theorygoing on KaluzakleinsUploaded byvirat rathod
- Qpaper Ar Sr Asc ModifiedUploaded byraina_nitk
- Sem.org SEM 2009 Ann Conf s117p03 Structural Behavior Mixture Ferromagnetic Nano Particles NematicUploaded byneilarebolledo
- Penta QuarkUploaded byc1118494

- 1. I can't believe it! actividd 3 de la segunda.docUploaded byCarlos Melendrez
- HiUploaded bylinda
- blog 1Uploaded bylinda
- Stage 1 - Fair.pptxUploaded byGladys Camacho
- 1. Planning My TripUploaded byElkinGustavoBautista
- ACTIVIDAD 4.2.2Uploaded bylinda
- AA4-Evidence 4 Consolidation Activity (1)Uploaded bykatherine
- actividad 3.2Uploaded bylinda
- 1. What Did I Do Yesterday (2)Uploaded byosita
- ACTIVIDAD 3 .2Uploaded bylinda
- AA3-Evidence 2 the Perfect Neighborhood for Each PersonUploaded byMiguel Ángel Maz
- sena 4.3Uploaded byEsteban Torres
- 2018-2 microcurric ANAL. INSTRUM. CROMAT. Y ELECT..docUploaded bylinda
- Learning Activity 2Uploaded bylinda

- CEC-700-2005-004-DUploaded bySyllogos Kireas
- 45. Samuel, The Priest Who Replaced EliUploaded bylifechurch
- Beh.Man_000Uploaded bymonkeynotes
- Chickering Seven PrinciplesUploaded byh82mfh
- Halo Al KanesUploaded byNirmal Sharma
- unsc study guide - bramun 2017Uploaded byapi-301526441
- Halo: Glasslands; GlasslandsUploaded byMacmillan Publishers
- The Industry Handbook: The Telecommunications IndustryUploaded byRasheeq Rayhan
- Bits and Pieces From Behind the ScenesUploaded byMaggador Edward Alexander
- Custom Authentication and AuthoUploaded byMarcelo Souza
- rxref297.pdfUploaded byborisg3
- StrategicMKT RevisionUploaded byjennifer2707883134
- 1_Teachers Guide Lesson OneUploaded byChris
- 1st SEM.Uploaded byKishan Solanki
- Sc Food GroupsUploaded byyrbag
- Gérard Genette and the Pleasures of PoeticsUploaded byApple Xu
- Trading Strategies in the Indian Stock Market 2461Uploaded bySai Krishna
- Multi Test IIUploaded byandika
- xydata in GISUploaded byUB
- Flexible Removable Partial DenturesUploaded byEma Kha
- Finite Groups RamondUploaded byLoubnan
- Collocation sUploaded byWayan Gandi
- SAG ARIS 9.5 Features Overview Nov13 WebUploaded byservermachine
- CRM Evaluation GuideUploaded byRamon Rincones
- Lecture 1 Importance of Pharmacoeconomics v2Uploaded bydhimas11
- Elect Ivo RedesUploaded byKen Matsuda
- notes the statement in the filters.pdfUploaded byeng2011tech
- spanish speaking country research projectUploaded byapi-264002455
- Friedrich Hielscher wiki.pdfUploaded byjuan
- Microbiology slides 02 bacterial geneticsUploaded byhamza jassar