Quantum Chemistry
168 questions in this chapter, page 3 of 4.
Study loop for Quantum Chemistry
1. Practise the PYQsPrevious-year questions, with answers
Postulates Operators
ABC26PH0162 · Two different non-zero operators A and B (A ≠ B) satisfy the relation (A+B)(A-B) = A2 - B2 · 2015
ABC26PH1271 · Two different non-zero operators A and B (A) satisfy the relation (A+B)(A-B)=A2-B2 · JUNE 2014 self-practice
ABC26PH1277 · The eigenfunctions of the Hamiltonian H (H = T + V) of a harmonic oscillator are (where T and V are kinetic energy and potential energy… · JUNE 2016
ABC26PH0165 · For a hermitian operator A, which does NOT commute with the Hamiltonian H, let psi 1 be an eigenfunction of A and psi 2 be an eigenfunction… · 2016
ABC26PH1281 · For a hermitian operator A, which does NOT commute with the Hamiltonian H, let psi 1 be an eigenfunction of A and psi 2 be an eigenfunction… · JUNE 2016 self-practice
ABC26PH1287 · If we write a normalized wave function psi =A, then phi is also normalized when · JUNE 2016 self-practice
ABC26PH1291 · Which of the functions below is a common eigenfunction of d/dx and (d2)/(dx2) operators? · JUNE 2016 self-practice
ABC26PH0168 · If [A, B]=0 and [A, C]=0, then which of the following necessarily holds: [A, B and C are operators] · 2017
ABC26PH1296 · If [A, B] = 0 and [A, C] = 0, then which of the following necessarily holds: [A, B and C are operators] · JUNE 2016 self-practice
ABC26PH0173 · A particle is in a state phi = psi 1 + 3 psi 2 where psi 1 and psi 2 are eigenfunctions of the Hamiltonian of the particle with eigenvalues… · 2018
ABC26PH1307 · A particle is in a state phi = psi 1+3 psi 2 where psi 1 and psi 2 are eigenfunctions of the Hamiltonian of the particle with eigenvalues… · JUNE 2016 self-practice
ABC26PH0182 · Let the Hamiltonian H, in one-dimension, be H = px2/2m + V(x). The commutator of H with x, [H, x], is · 2020
Quantum Chemistry – General
ABC26PH1203 · The Hermitian conjugate of operator d/dx, called (d/dx), is actually equal to · JUNE 2016 self-practice
ABC26PH0774 · The normalisation constant 'A' for the wavefunction psi (phi) = Ae(im phi) where 0 ≤ phi ≤ 2 pi is: · 2001-2022
ABC26PH0130 · The energy levels for cyclobutadiene are alpha + 2 beta, alpha, alpha and alpha - 2 beta. The delocalization energy in this molecule is: · JUNE 2011 self-practice
ABC26PH0775 · Deduce whether the matrices A and B commute or not. A = 2 1 0 1 B = 1 1 0 1 · 2001-2022 self-practice
ABC26PH1205 · The energy levels for cyclobutadiene are alpha + 2 beta, alpha, alpha and alpha - 2 beta. The delocalization energy in this molecule is: · JUNE 2011 self-practice
ABC26PH0131 · For a certain particle encountering a barrier, the tunneling probability is approximately e-10. If the mass is halved and width of the… · JUNE 2011
ABC26PH0779 · Find the eigenvalues of the following 3 × 3 matrix given that 2 is one of the eigen values. Compute the determinant of matrix using the… · 2001-2022 self-practice
ABC26PH0780 · Which of the following is NOT a solution of the equation (d2x)/(dt2) + omega 2 x = 0 · 2001-2022
ABC26PH0782 · A quantum mechanical particle of mass m free to rotate on the surface of a sphere of radius r is in the state with energy (10ħ2)/(mr2). The… · 2001-2022
ABC26PH1215 · An excited triplet state wave function of hydrogen molecule with the electronic configuration sigma g1 sigma u1 has the following space part · DEC 2011 self-practice
ABC26PH0784 · The function y = xexp (-x2) has a minimum at x = -1/(√(2)). The second derivative of the function at the minimum is · 2001-2022
ABC26PH0787 · If x = x × px = h/(2 pi i)d/dx, then the value(s) of pxx - xpx is/are · 2001-2022
ABC26PH0792 · The function f(x)=xe^-x2 has a minimum at · 2001-2022
ABC26PH0140 · Combining two real wave functions phi 1 and phi 2 the following functions are constructed: A = phi 1 + phi 2, B = phi 1 + i phi 2, C = phi… · 2012 self-practice
ABC26PH1226 · Combining two real wave functions phi 1 and phi 2 the following functions are constructed: A = phi 1 + phi 2, B = phi 1 + i phi 2, C = phi… · DEC 2012 self-practice
ABC26PH0142 · The difference in energy levels of n = 2 and n = 1 of a particle -in - a one dimensional box is 6 units of energy. In the same units, what… · 2013 self-practice
ABC26PH1233 · The difference in energy levels of n = 2 and n = 1 of a particle-in-a one dimensional box is 6 units of energy. In the same units, what is… · DEC 2012 self-practice
ABC26PH0143 · 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… · 2013
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
ABC26PH0145 · In the formation of H2 molecules from 2 H atoms placed at positions A and B, and separated by a distance rAB, a part of special… · 2013
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
ABC26PH0159 · A quantum particle with fixed initial energy Eo < V is allowed to strike the following four barriers separately. The transmission… · 2014
ABC26PH1261 · A quantum particle with fixed initial energy E0 < V is allowed to strike the following four barriers separately. The transmission… · 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
ABC26PH1265 · The simplest ground-state VB wave function of a diatomic molecule like HCl is written as psi = psi H(1 s, 1) psi Cl (3 pz, 2)+B where B… · JUNE 2014 self-practice
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
ABC26PH1270 · A particle is in a one-dimensional box with a potential Vo inside the box and infinite outside. An energy state corresponding to n=0 (n=… · 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
ABC26PH0170 · 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… · 2018