1 Question Write the energy of each of the following determinants in terms of the one-electron integral h and the two-electron integrals J and K. (a) (b) (c) • (d) (e) 2-1 1- (a) + (b) | # (c) +1 # (d) the # (e)

Chemistry
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ISBN:9781305957404
Author:Steven S. Zumdahl, Susan A. Zumdahl, Donald J. DeCoste
Publisher:Steven S. Zumdahl, Susan A. Zumdahl, Donald J. DeCoste
Chapter1: Chemical Foundations
Section: Chapter Questions
Problem 1RQ: Define and explain the differences between the following terms. a. law and theory b. theory and...
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1
Question
Write the energy of each of the following determinants in terms of the one-electron integral h and the two-electron
integrals J and K.
to
23
2
1
(a)
(b)
(c)
(d)
(e)
• (a)
• (b)
• (c)
• (d)
• (e)
2
Question
For the following molecules, write the total number of basis functions using the indicated basis sets.
Basis
STO-3G
HF
H20
6-31G
сс-pVDZ
cc-PVTZ
aug-cc-PVDZ
It
Transcribed Image Text:1 Question Write the energy of each of the following determinants in terms of the one-electron integral h and the two-electron integrals J and K. to 23 2 1 (a) (b) (c) (d) (e) • (a) • (b) • (c) • (d) • (e) 2 Question For the following molecules, write the total number of basis functions using the indicated basis sets. Basis STO-3G HF H20 6-31G сс-pVDZ cc-PVTZ aug-cc-PVDZ It
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