For a minimal-basis STO calculation on H2, how many different electron-repulsion integrals (rs|tu) need to be calculated,

Question:

For a minimal-basis STO calculation on H2, how many different electron-repulsion integrals (rs|tu) need to be calculated, taking into account (14.47) and the symmetry of the molecule?

Fantastic news! We've Found the answer you've been seeking!

Step by Step Answer:

Related Book For book-img-for-question

Quantum Chemistry

ISBN: 978-0321803450

7th edition

Authors: Ira N. Levine

See More Books

Question Posted: May 26, 2016 06:36 AM

See More Questions

How many primitive and how many contracted GTFs are used in a calculation on Si24O60H24 with each of these basis sets: (a) STO-3G; (b) 3-21G; (c) 6-31G*?
A HartreeFock calculation using the minimal basis set of the 1s, 2s, 2p x , 2p y , and 2p z AOs on each of N and O generated the energy eigenvalues and AO coefficients listed in the following table....
For each molecule (a)-(f), indicate how many different electron- domain geometries are consistent with the molecular geometry shown a. b. c. d. e. f.
Determine the global extreme values of the function on the given domain. f(x, y) = 5x- 3y, y x-2, yz-x-2, y 3
Buster County has proposed a strict water conservation policy for all industrial plants within the county limits. Enforcement is proposed to be a public-private partnership between the sheriff's...
What are the advantages and disadvantages of asking employees to alert their LinkedIn member networks when a job opening is available?
Give examples of information systems and automated information systems. How do they differ from each other?
Practice calculating the sample size and the number of expected errors in attributes sampling by using the tables in Exhibit and the following combinations ofinputs: Tolerable Rate of x Sample Size...
Equity A has a higher standard deviation than equity B, but a lower CAPM-beta. Explain how you would explain this difference? Consider the following information in Table 3 for stocks A and B. Table...
The financial statements of Freezeqwik Ltd, a distributor of frozen foods, are set out below for the year ended 31 December last year. All purchases and sales are on credit. There has been no change...
Repeat Prob. 15.59 for propene, CH2CHCH3. In Problem 15.59 Do HF/6-31G* calculations to find the predicted geometries, dipole moments, and vibrational wavenumbers of the conformers of N2H4. What is...
Slater's rules for finding approximate orbital exponents of K-, L-, and M-shell Slater AOs are as follows. The orbital exponent z is taken as (Z - snl)/n, where n is the principal quantum number and...
Evaluate the integral. cos*(2t) dt
Borders Bookstore: A Merchandise Display Problem Michael Chaim, general manager of the Borders Bookstore in Madison, Wisconsin, was proud of his store. Located in a city that has one of the highest...
The spot and 6-month forward rates for the British Pound are $1.5800/ and $1.5510/, respectively. If the dollar is the home currency, the British Pound is said to be selling at a forward O premium ?
short paragraph explanation is enough. You want to start a kit-meal delivery business like Hello Fresh. Macro factors : Identify and explain how any external (macro) factors would impact your...
The annual rich list of top hedge fund earners published by Institutional Investors features four hedge fund managers who made more than $ 1 billion in 2 0 1 7 , with other top hedge managers earning...
You are given the the information below on a mutual fund. What is the geometric average? Year 1 Asset under management at start of year (millions of $) 100.00 Holding-Period Return (% per year) 21.00...
For the following exercises, find the x- or t-intercepts of the polynomial functions. f(x) = x 3 + x 2 20x
Explain the term "Equivalent Units". Why are they calculated in process costing? [4 Marks] [minimum 350 words]
A horizontal 800-N merry-go-round is a solid disk of radius 1.50 m, started from rest by a constant horizontal force of 50.0 N applied tangentially to the edge of the disk. Find the kinetic energy of...
From information on the endsheets of this book, compute the radial acceleration of a point on the surface of the Earth at the equator, due to the rotation of the Earth about its axis.
(a) A uniform solid disk of radius R and mass M is free to rotate on a frictionless pivot through a point on its rim (Fig. P10.49). If the disk is released from rest in the position shown by the blue...
The community nursing service team provides nursing care to patients in the community, Discuss?
Why are angiosperms so diverse (when compared with non-flowering lineages of plants)? How expensive flowers are to produce for the plant (they cost lots of ATP to make); what benefit do they provide...
Martinez Company's relevant range of production is 7,500 units to 12,500 units. When it produces and sells 10,000 units, its average costs per unit are as follows: Average Cost Per Unit Direct labor...

For a minimal-basis STO calculation on H2, how many different electron-repulsion integrals (rs|tu) need to be calculated,

Question:

rs tu sritu s ut srlut tusr ut sr

Step by Step Answer:

There are two basis functions namely 1s a and 1s b which we shal...View the full answer

Quantum Chemistry

Students also viewed these Mechanics questions