Quantum Chemistry

ABC26PH1302 · The transition moment integral for a rotational transition between J=1; MJ=0 and J=2; MJ=0 states for a diatomic molecule along the z-axis… · JUNE 2016 self-practice

ABC26PH1304 · Which of these is not a suitable unnormalized wave function for the excited 1s 2s electron configuration of the helium atom ? · JUNE 2016

ABC26PH1310 · The lowest energy unnormalized wave function of H2+molecule is (r1. and r2 are the distances between the electron and nuclei 1 and 2… · JUNE 2016 self-practice

ABC26PH0176 · The function, which is NOT an eigenfunction of the indicated operator, is · 2020 self-practice

ABC26PH1160 · In linear variation method using two orthogonal basis functions, the two roots obtained are epsilon 0 and epsilon 1 (epsilon 0 < epsilon… · 2020-2021

ABC26PH1162 · For a model system of three non-interacting electrons confined in a two dimensional square box of length L, the ground state energy in… · 2020-2021

ABC26PH1163 · Consider a particle on a ring that is perturbed by interacting with an applied electric field (E) with the perturbation being H′= mu E cos… · 2020-2021

ABC26PH1164 · For an electron in 1s orbital of He^+, the average value of r, r is · 2020-2021

ABC26PH1165 · Let the Hamiltonian H, in one-dimension, be H = (px2)/2m + V(x). The commutator of H with x, [H, x], is · 2020-2021

ABC26PH1166 · The commutator, [x, px2] is equivalent to · 2020-2021 self-practice

ABC26PH1167 · The total pi -electron density on the four carbon atoms of trans butadiene are in the ratio · 2020-2021 self-practice

ABC26PH1168 · Consider an electron me=9.1 × 10-31 kg having energy 13.6 eV, confined in an infinite potential well. If the potential energy inside the… · 2020-2021 self-practice

ABC26PH1169 · When a hydrogen atom is exposed to a perturbation V = E.z, the first order correction to the wave function comes only from the orbital · 2020-2021 self-practice

ABC26PH0141 · The trial wave function of a system is expanded as psi t = c1 phi 1 + c2 phi 2. The matrix elements of the Hamiltonian are phi 1|H| phi 1 =… · 2012

ABC26PH1227 · The trial wave function of a system is expanded as psi t=c1 phi 1+c2 phi 2. The matrix elements of the Hamiltonian are phi 1 H phi 1=0; phi… · DEC 2012 self-practice

ABC26PH0160 · For some one-electron system with l = 0 and m = 0, the functions No e- sigma and N1(2- sigma)e- sigma refer respectively to the ground (Eo)… · 2014

ABC26PH1294 · Given a trial wave function psi = C1 phi 1 + C2 phi 2 and the Hamiltonian matrix elements. ∫ phi 1^* H phi 1 dv = 0, ∫ phi 1^* H phi 2 dv =… · JUNE 2016 self-practice

ABC26PH0178 · In linear variation method using two orthogonal basis functions, the two roots obtained are epsilon 0 and epsilon 1 (epsilon 0 < epsilon… · 2019