Course outline Wook ance Pome Med Aotetorm ox 1 :Apeston ot Una iratorl abo fue: Aasgnment 2 Wook Wook? Aasignment Sottion ‘ext Transcripts Assignment 2 ‘Thode date or ubomting tis assignment Nas pasos Due on 2021-02-07, 23:59 IST. ” the shown function should not be used as atrial function fo particle in e box pant problem, because: The function i not continuous The function is continuous but the first derivative is not continuous The function is not single valued The function does not satisfy boundary condition at x= 0 Pee recep Answers: a a pone (0) ~ (2) re was sed as rl function forthe round sate of hydrogen atom. the vatiation method gives « = 3/2. Whats the vale ofthe overlap betveen the wavefunction obtained fom this ial function andthe hydrogen atom 1s wavefunction (Y,, = eT/ViE)? 2. 098 & 002 «069 a0 ‘eco nawers: normalized spherically symmetric variationally optimized function for the cS hhydrogen atom is analysed by finding the coefficients (Ca, C2» Czp0, Its found that xz = VOBUand cx, = VOB, What i the maximum value of Czp0? a0 b. ¥O05 « voIz 4. yO95 3 ‘cepted Asner: 9 pone A normalized, spherically symmetric variationally optimized function forthe Ihydragen atom is analysed by finding the coefficients (Cte, Cae, Capa, €%6). is found that eye = VOBU and Cs, = VOB. With this much information available, what is the minimum possible value ofthe energy given by variational method? a. -0.500 au b. -0.421 au ©. -01200u d. -0.7200u seeped Amare 9 paint What the value ofa atomie unit of polarizability in Sanit? 8 168X108 mes b. 168% 10%C mst 168X100? Pt 168X102 met PRE 3 ‘Aecepted Asner: © How many two-electron eperators are there in the Hamiltonian of CHe molecule? cae a 10 b. 20 < 45 4.55, Pee ecoptd Annes ? Wich ofthe following energy is impossible to get from the variational method for i) the ground state of harmonic oscillator of frequency ()? a thw b thw he Pee ocoptd Anse © Three aiferent trial functions for Li atom gave the variational energy of -203.2 eV, = tent 192.0 eV, and-201.2 eV. The true ground state energy of Li atom is -198.8ev 2 -203.2ev -192.0ev S-2032ev crt Aenrs Consider two variation tal functions @, = af + bg and g, = f + eg. Here fand g tod are two functions while, bande are constants tobe determined by variational method. When p, and gare used as tral functions for the same problem Es and Ee are obtained asthe corresponding variational energy. Which of the following Statements is/are correct? 2. E=E; E> Ey Eck No such relation exists ete goons act scr Aer "9 cing atrial function ¢ = cif + caf, it was found that ao Uj JAM,) = ~2 auf Alf.) =—2 auf JA\fy =—1 auf If,)= 1/4 Here fi and fz are normalized functions. Whatis the upper bound of the lowest energy? a -240 au b -233 au © 12000 do Pee Asst ron: