Quantum Chemistry
125 questions in this chapter, page 3 of 3.
Study loop for Quantum Chemistry
1. Practise the PYQsPrevious-year questions, with answers
Quantum Chemistry – General
ABC26PH1234 · The wave function psi of a certain system is the linear combination psi = √(1/4) psi 1 + √(3/4) psi 2 where psi 1 and psi 2 are energy… · JUNE 2013 self-practice
ABC26PH1235 · For the particle-in-a-box problem in (0, L) an approximate wave function is given as x(L/2 - x)(L - x). The average energy E for such a… · JUNE 2013 self-practice
ABC26PH0152 · Consider a particle confined in a cubic box. The degeneracy of the level, that has an energy twice that of the lowest level, is · 2014
ABC26PH1249 · Consider a particle confined in a cubic box. The degeneracy of the level, that has an energy twice that of the lowest level, is · JUNE 2014 self-practice
ABC26PH0153 · If the ionization energy of H atom is x, the ionization energy of Li+2 is · 2014
ABC26PH1253 · If the ionization energy of H atom is x, the ionization energy of Li+2 is · JUNE 2014 self-practice
ABC26PH1264 · An eigen state of energy satisfy H psi n = En psi n. In the presence of an extra constant potential V0 · JUNE 2014 self-practice
ABC26PH0161 · The simplest ground-state VB wave function of a diatomic molecule like HCl is written as psi = psi H(1s,1) psi Cl(3pz,2) + B where B stands… · 2015
ABC26PH1267 · Compare the difference of energies of the first excited and ground states of a particle confined in (i) a 1-d box (Delta 1), (ii) a 2-d… · JUNE 2014 self-practice
ABC26PH0163 · The degeneracy of an excited state of a particle in 3-dimensional cubic box with energy 3 times its ground state energy is · 2015
ABC26PH1272 · The degeneracy of an excited state of a particle in 3-dimensional cubic box with energy 3 times its ground state energy is · JUNE 2014 self-practice
ABC26PH1299 · The correct statement about the difference of second and first excited state energies (Delta E) of a particle in 1-D, 2-D square and 3-D… · JUNE 2016
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
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
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
ABC26PH1167 · The total pi -electron density on the four carbon atoms of trans butadiene are in the ratio · 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
Variation Method
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
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