2+ Write down the total Hamiltonian for LiH Well label the relevant variables.

Q: L→ a+B 2- The scheme symbol equations is True O False

A: Ans) False

Q: Sketch the boundary surface of a dx2 −y2 and a py orbital. Be sure to show and label the axes.

A: The shapes of different orbital are as follows: The shape of s-orbital is sphere. The shape of…

Q: What is the degeneracy of a molecule rotating with J = 4?

A: Degeneracy of energy levels- Simple meaning of degeneracy of energy levels is energy levels with…

Q: Construct the molecular orbitals of NH2- ion and give the initial wavefunction of LUMO using proper…

A: given: The number of molecular orbitals is equal to number of atomic orbitals. the overlap of two…

Q: 1

A:

Q: * 14) For the same He, write out the ground state wavefunction. (you can leave it in the form of…

A:

Q: Prove that the potential energy of the electron is Etotal -e?/ (8περr)

A:

Q: Consider the real part of the spherical harmonic Y2,+2. At which values of ϕ do angular nodes occur?…

A: The spherical harmonic Y2+2, is given below. The number of angular nodes is given by the formula…

Q: Q1. If the movement of a particle on a ring (circle) is given by either (a) e or (b) e'mo where m is…

A: All details explanation in Handwritten solution .

Q: Determine the normalization constant for =e-r/aby normalizing in all space of spherical polar…

A:

Q: What is the degeneracy of a molecule rotating with J = 3?

A: The phenomenon by which a single energy level corresponds to two or more than two states of motion…

Q: How many nodal planes, two-dimensional sheets where theprobability density goes to zero, are there…

A: Nodal planes are defined as those planes where the probability density of electrons become equal to…

Q: The Hückel determinant for a 4 Carbon containing conjugated cyclic molecule has four roots…

A:

Q: Q/ Calculate the wave wumber and Prequencyof the Rirst line of the Ballmer series ?

A: The wavelength is calculated by the formula, 1λ=RH1n12-1n22 Where, n1 is initial state n2 is final…

Q: Q4: The cyclopropenyl radical has three carbon atoms situated at the corners of an equilateral…

A: First, we want to demonstrate the most simple manner of how Hückel (Erich Hückel, German physicist…

Q: For the graph shown below, compute for the total weight of a Hamiltonian cycle using the…

A:

Q: Q6. Prove that wl and y3 of particle in one-dimensional-box are orthonormal

A:

Q: How big would be the matrix in the Secular Equation for a hypothetical molecule with 5 protons and…

A: Correct option is A

Q: How many nodes are there in the p LUMO wavefunction of 1,3,5-hexatriene? Answer with ONLY an…

A:

Q: Use the Laws of Logarithms to combine the expression. 3 In(2) + 2 In(x) – -글 In(x + 6)

A: Law of logarithms       Product Rule Law :   loga (MN) = loga M + loga N      Quotient Rule Law…

Q: The first two spin orbitals for the hydrogen atom are 1 2 a P100(r,8,$,0) =- 3/2 and Vs00-7,0,0.0) =…

A: To determine if a matrix is orthogonal, we need to multiply the matrix by it's transpose, and see if…

Q: Q4: Derive planar density expressions for BCC (100) and (110) planes in terms of the atomic radius…

A: (1,0,0) plane within a BCC unit cell si given below.

Q: show that ψ2 and ψ3 for the harmonic oscillator are orthogonal

A:

Q: y-projection of the spin operator sy = e eigen values and the normalized eigen fun the eigen…

A: Given: Sy=h20-ii0=0-ih2ih20

Q: s the function w(x)= sinx an eigenfunction for the linear momentum pperator, 6,? ? If yes, what is…

A: Correct answer is D

Q: A hydrogen atom. treated as a point mass. is confined to a one-dimensional square well of width 1.0…

A:

Q: the above are correct Q8) If the operator A acts on the orthonormalized real functions f; and f; as…

A:

Q: What is the eigen value when the eigen function e* is operated on the operator d" I dx" ? ( A ) α"…

A:

Q: What is the eigen value of the function e* when operated on the operator d" / dx" ? (A) a" (В) ха"…

A: The Hermitian equation is shown below: A^ψ=aψ where; a = eigen value A^ = operator ψ = eigen…

Q: Calculate the uncertainty of the internuclear distance, Ax, in 12C6o.

A: The given molecule is 12C16O and we want to find out the internuclear distance.

Q: B A D +y -IN -IM

A:

Q: The total z component of the spin angular momentum operator for an N-electron system is N Ŝz total…

A: Solution -

Q: image

A: Quantum numbers are parameters to describe an atom's energy levels , orientation in space and shape…

Q: how many terms are there in the total Hamiltonian of the hydrogen molecule?

A: In quantum, the hamiltonian operator corresponds to the total energy of the system. The total energy…

Q: 5. Sketch the Radial Distribution Function 4xr³R² vs. r² for 4s • 5s • • . 4p 4d2-2 Sp 6s бр

A:

Q: Determine the normalized wavefunction for the following function with 0 < x < 2n and k = 40. 4(x) =…

A: A NORMALIZED HAVE A VALUE 1 UNDER A VOLUME COMPONENT

Q: Construct the wavefunction of the π MO from the 2pz atomic orbitals perpendicular to the plane of…

A: The given structure is allyl radical. The number of pi electrons = 2 (from one pi bond) + 1 (from a…

Q: 1. Show that wavefunctions in particle in a box are orthonormal

A:

Q: What is basis function? Explain STO-3G and 6-31G basis sets.

A:

Q: What is the eigen value when the eigen function eª* is operated on the operator d" / dx" ? (А) а "…

A:

Q: 13. Which of the following are operators are hermitian? Is Hermitian Is not Hermitian  = d/dx  =…

A: The operators  which are hermitian or not is given below.

Q: Confirm that the wavefunctions of the 2D rigid rotor for m=1 and m=2 are orthogonal.

A: Answer is explained below.  The required condition for orthogonality is as follows:

Q: Show if the time independent hamiltonian operator is hermitian or not ħ? d? L A V(x) 2m dx?

A: Hermitian operator: An Hermitian operator is define as the physicist's version of an object to which…

Q: Qi/ Calculate the normalization factor for the function p}(0) , if let p?(e)= Nsin Oco se?

A: We will calculate the normalisation factor for the given function as mentioned in the question.

Q: determine the normalized wave function for _ = c1(1sA – 18B). In other words find the normalization…

A: To determine the normalized wave function for the given wave function.

Q: 3. Consider the range indicated, find the normalization constant of each of the ollowing…

A: -&gt;for normalised wave function probability density is equal to 1.

Q: according to Hund's rules, the correct order in increasing of energy for term symbols of the „V2*…

A: According to hunds rule electrons are filled in orbital such as  firstly single occupied before it…

Q: Which of the following functions can be normalized (in all cases the range for x is from x=…

A: The given region is – infinity to + infinity.(i) First consider the function, sin (ax):The limiting…