A SCF-MO calculation on nickel hexafluoride in a Gaussian basis

C. Hollister; Jules W. Moskowitz; Harold Basch

doi:10.1016/0009-2614(69)80020-5

A SCF-MO calculation on nickel hexafluoride in a Gaussian basis

C. Hollister, Jules W. Moskowitz, Harold Basch

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Abstract

A SCF-MO calculation has been performed on nickel hexafluoride in a basis of contracted Gaussian functions. All electrons have been included and all multicenter integrals accurately calculated. The crystal field splitting and hyperfine interaction parameters have been investigated.

Original language	English
Pages (from-to)	185-186
Number of pages	2
Journal	Chemical Physics Letters
Volume	3
Issue number	4
DOIs	https://doi.org/10.1016/0009-2614(69)80020-5
State	Published - Apr 1969
Externally published	Yes

Bibliographical note

Funding Information:
This research was supported in part by the National Science Foundation under grant GP-5677. The authors gratefully acknowledge a grant of computer time from the New York University A. E. C. Computing Center.

Funding

This research was supported in part by the National Science Foundation under grant GP-5677. The authors gratefully acknowledge a grant of computer time from the New York University A. E. C. Computing Center.

Funders	Funder number
National Science Foundation	GP-5677

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10.1016/0009-2614(69)80020-5

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title = "A SCF-MO calculation on nickel hexafluoride in a Gaussian basis",

abstract = "A SCF-MO calculation has been performed on nickel hexafluoride in a basis of contracted Gaussian functions. All electrons have been included and all multicenter integrals accurately calculated. The crystal field splitting and hyperfine interaction parameters have been investigated.",

author = "C. Hollister and Moskowitz, \{Jules W.\} and Harold Basch",

note = "Funding Information: This research was supported in part by the National Science Foundation under grant GP-5677. The authors gratefully acknowledge a grant of computer time from the New York University A. E. C. Computing Center.",

year = "1969",

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doi = "10.1016/0009-2614(69)80020-5",

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journal = "Chemical Physics Letters",

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AU - Hollister, C.

AU - Moskowitz, Jules W.

AU - Basch, Harold

N1 - Funding Information: This research was supported in part by the National Science Foundation under grant GP-5677. The authors gratefully acknowledge a grant of computer time from the New York University A. E. C. Computing Center.

PY - 1969/4

Y1 - 1969/4

N2 - A SCF-MO calculation has been performed on nickel hexafluoride in a basis of contracted Gaussian functions. All electrons have been included and all multicenter integrals accurately calculated. The crystal field splitting and hyperfine interaction parameters have been investigated.

AB - A SCF-MO calculation has been performed on nickel hexafluoride in a basis of contracted Gaussian functions. All electrons have been included and all multicenter integrals accurately calculated. The crystal field splitting and hyperfine interaction parameters have been investigated.

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EP - 186

JO - Chemical Physics Letters

JF - Chemical Physics Letters

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A SCF-MO calculation on nickel hexafluoride in a Gaussian basis

Abstract

Bibliographical note

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