Pseudopotential calculations using the FSGO Method: Application to first-row hydrides

Sid Topiol; Arthur A. Frost; Mark A. Ratner; Jules W. Moskowitz; Carl F. Melins

doi:10.1007/BF02401398

Pseudopotential calculations using the FSGO Method: Application to first-row hydrides

Sid Topiol^*, Arthur A. Frost, Mark A. Ratner, Jules W. Moskowitz, Carl F. Melins

^*Corresponding author for this work

Chemistry

Research output: Contribution to journal › Article › peer-review

Abstract

Various pseudopotential schemes are examined in floating spherical Gaussian orbital (FSGO) calculations on the first row hydrides to help determine which pseudopotential scheme, if any, would be most useful in the FSGO method.

Original language	English (US)
Pages (from-to)	177-183
Number of pages	7
Journal	Theoretica Chimica Acta
Volume	45
Issue number	3
DOIs	https://doi.org/10.1007/BF02401398
State	Published - Aug 1 1977

Keywords

First row hydrides
Floating spherical Gaussian orbital method

ASJC Scopus subject areas

Chiropractics

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10.1007/BF02401398

Cite this

@article{3f1b72bdafad4b2598198d8e8542a9c0,

title = "Pseudopotential calculations using the FSGO Method: Application to first-row hydrides",

abstract = "Various pseudopotential schemes are examined in floating spherical Gaussian orbital (FSGO) calculations on the first row hydrides to help determine which pseudopotential scheme, if any, would be most useful in the FSGO method.",

keywords = "First row hydrides, Floating spherical Gaussian orbital method",

author = "Sid Topiol and Frost, {Arthur A.} and Ratner, {Mark A.} and Moskowitz, {Jules W.} and Melins, {Carl F.}",

year = "1977",

month = aug,

day = "1",

doi = "10.1007/BF02401398",

language = "English (US)",

volume = "45",

pages = "177--183",

journal = "Theoretica Chimica Acta",

issn = "0040-5744",

publisher = "Springer New York",

number = "3",

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TY - JOUR

T1 - Pseudopotential calculations using the FSGO Method

T2 - Application to first-row hydrides

AU - Topiol, Sid

AU - Frost, Arthur A.

AU - Ratner, Mark A.

AU - Moskowitz, Jules W.

AU - Melins, Carl F.

PY - 1977/8/1

Y1 - 1977/8/1

N2 - Various pseudopotential schemes are examined in floating spherical Gaussian orbital (FSGO) calculations on the first row hydrides to help determine which pseudopotential scheme, if any, would be most useful in the FSGO method.

AB - Various pseudopotential schemes are examined in floating spherical Gaussian orbital (FSGO) calculations on the first row hydrides to help determine which pseudopotential scheme, if any, would be most useful in the FSGO method.

KW - First row hydrides

KW - Floating spherical Gaussian orbital method

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U2 - 10.1007/BF02401398

DO - 10.1007/BF02401398

M3 - Article

SN - 0040-5744

VL - 45

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EP - 183

JO - Theoretica Chimica Acta

JF - Theoretica Chimica Acta

IS - 3

ER -

Pseudopotential calculations using the FSGO Method: Application to first-row hydrides

Abstract

Keywords

ASJC Scopus subject areas

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