Quantum Chemistry · Physical Chemistry

200 questions in this chapter.

Angular Momentum

ABC26PH0776 · If the electron were spin 3 / 2 particles, instead of spin 1 / 2, then the number of electrons that can be accomodated in a level are · 2001-2022 self-practice
ABC26PH1208 · For a H2 molecule, the ground state wave function is 1,2=1,2\, sigma (1,2) where phi refers to the space part and sigma to the spin part… · JUNE 2011 self-practice
ABC26PH1223 · For H2 molecule in the excited state 1 1 spin part of the triplet state with ms=0 is proportional to · JUNE 2012 self-practice
ABC26PH1232 · In a many-electron atom, the total orbital angular momentum (L) and spin (S) are good quantum numbers instead of the individual orbital… · DEC 2012 self-practice
ABC26PH0149 · The angular momentum operator Ly · 2013
ABC26PH1246 · The angular momentum operator Ly · DEC 2013 self-practice
ABC26PH1256 · The spatial part of the wave function of the atom in its ground state is 1 s(1) 1 s(2). The spin part would be · JUNE 2014 self-practice
ABC26PH0157 · The angular momentum operator Lz=-i()/( phi ) has eigen functions of the form (iA phi ). The condition that a full rotation leaves such an… · 2014
ABC26PH1258 · The angular momentum operator Lz=-i ()/( phi ) has eigen functions of the form (iA phi ). The condition that a full rotation leaves such an… · JUNE 2014 self-practice
ABC26PH1260 · The operators S defined by S =Sx iSy where Sx and Sy are components of the spin angular momentum operator. The commutator [Sx, S+ ]is · JUNE 2014 self-practice
ABC26PH1266 · Which of the following statement is INCORRECT? · JUNE 2014 self-practice
ABC26PH1282 · The simultaneous eigen functions of angular momentum operators L2 and LZ are · JUNE 2016 self-practice
ABC26PH1313 · A satisfactory spin wave function for an excited helium atom is · JUNE 2016 self-practice

Harmonic Oscillator

ABC26PH1229 · Suppose, the ground stationary state of a harmonic oscillator with force constant 'k' is given by 0= [-Ax2 ] Then, A should depend on K as · DEC 2012 self-practice
ABC26PH1230 · The energy of a harmonic oscillator in its ground state is 1 / 2 h omega . According to the virial theorem, the average kinetic (T) and… · DEC 2012 self-practice
ABC26PH0147 · Consider a two-dimensional harmonic oscillator with potential energy V(x,y)=1/2kx x2+1/2ky y2 If (x) and (y) are the eigensolutions and Enx… · 2013
ABC26PH1242 · Consider a two-dimensional harmonic oscillator with potential energy V(x, y)=1/2 kx x2+1/2 ky y2. If _nx(x) and _ny(y) are the… · DEC 2013 self-practice
ABC26PH0155 · A particle in a one dimensional harmonic oscillator in x-direction is perturbed by a potential lambda x ( lambda is number). The… · 2014
ABC26PH1255 · A particle in a one dimensional harmonic oscillator in x-direction is perturbed by a potential lambda x( lambda is number). The first-order… · JUNE 2014 self-practice
ABC26PH1268 · The correct statement about both the average value of position x and momentum p of a 1-d harmonic oscillator wave function is · JUNE 2014 self-practice
ABC26PH1276 · A normalised state phi is constructed as a linear combination of the ground state (0 ) and the first excited state (1 ) of some harmonic… · JUNE 2014 self-practice
ABC26PH1298 · The correct statement about the symmetry of the eigenfunctions of a quantum of 1-D harmonic oscillator is · JUNE 2016 self-practice
ABC26PH1300 · A one-dimensional quantum harmonic oscillator is perturbed by a potential. The first order correction to the energy for the ground state (… · JUNE 2016 self-practice
ABC26PH0172 · Consider a model system of five non interacting fermions in a single 3-dimensional harmonic oscillator. The Hamiltonian of a single… · 2018
ABC26PH1306 · Consider a model system of five non interacting fermions in a single 3-dimensional harmonic oscillator. The Hamiltonian of a single… · JUNE 2016 self-practice

Huckel MO Theory

ABC26PH0137 · Using Hückel molecular orbital approximation, the two roots of secular equation of ethene are · 2012
ABC26PH1222 · Using Huckel molecular orbital approximation, the two roots of secular equation of ethane are · JUNE 2012 self-practice
ABC26PH1228 · One molecular orbital of a polar molecule A B has the form cA +cB , where and are normalized atomic orbital's centred on A and B… · DEC 2012 self-practice
ABC26PH0144 · Identify the Huckel determinant for cyclobutadiene · 2013
ABC26PH1239 · Identify the Huckel determinant for cyclobutadiene · JUNE 2013 self-practice
ABC26PH0150 · The energy for a single electron excitation in cyclopropenium cation in Hückel theory is · 2013
ABC26PH1247 · The energy for a single electron excitation in cyclopropenium cation in Huckel theory is · DEC 2013 self-practice
ABC26PH1252 · If phi =0.8 +0.4 is a normalized molecular orbital of a diaotmic molecule AB, constructed from and which are also normalized, the overlap… · JUNE 2014 self-practice
ABC26PH0154 · Simple Hückel molecular orbital theory · 2014
ABC26PH1254 · Simple Huckel molecular orbital theory · JUNE 2014 self-practice
ABC26PH0169 · The electronic transition energy from 1 2 in propenyl radical is 4.8 eV . Within the framework of Huckel theory, the transitions energy… · 2017
ABC26PH1301 · The electronic transition energy from 1 2 in propenyl radical is 4.8 eV . Within the framework of Huckel theory, the transitions energy… · JUNE 2016 self-practice
ABC26PH1314 · The highest energy pi -molecular orbital for the allyl system is · JUNE 2016 self-practice
ABC26PH0177 · The Hückel molecular orbital of benzene that is degenerate with the molecular orbital 1/2 (2+3-5-6 ) · 2019

Hydrogen Atom

ABC26PH0127 · arrayl1.1 2.2 3.3 4.4array · JUNE 2011
ABC26PH1201 · The normalized hydrogen atom 1 s wave function is given by 1 s=1√( pi ) (a0 )2 e^-0a0 where =1 and energy is -0.5 au . If we use a… · JUNE 2011 self-practice
ABC26PH1209 · A hydrogenic orbital with radial function of the form r alpha [- beta r] and phi -part as [-3 i phi ] corresponds to · JUNE 2011 self-practice
ABC26PH1213 · Which of the following is true for the radial part of the hydrogen atom wave functions Rn 1(r) ( n principal quantum number) and the nodes… · DEC 2011 self-practice
ABC26PH0783 · An atomic orbital is described by the wavefunction (r)=1 pi a03 e^- (ra0 ), where a0 is the Bohr radius. Given: d =r2 theta drd theta d phi… · 2001-2022 self-practice
ABC26PH0785 · For unnormalized wave-function, (r, theta , phi )= theta phi (2 ra0- (ra0 ) ) (-ra0 ), the number of radial node(s) is ____ · 2001-2022 self-practice
ABC26PH1217 · For hydrogen-like atom with a nuclear charge Z , the energy of orbital with principal quantum number 'n' follows the relation. · JUNE 2012 self-practice
ABC26PH0134 · The average value of the radius r in the 1s state of the hydrogen atom is (a0 is Bohr radius) · 2012 self-practice
ABC26PH1218 · The average value of the radius <r> in the 1 s state of the hydrogen atom is ( a0 is Bohr radius) · JUNE 2012 self-practice
ABC26PH0789 · The 3 pz orbital has · 2001-2022 self-practice
ABC26PH0794 · Two sets of quantum numbers with the same number of radial nodes are · 2001-2022