Integral transform functions. A simple non-exponential orbital for the He series

被引：33

作者：

Somorjai, R. L. ^{[1
]}

机构：

[1] Natl Res Council Canada, Div Pure Chem, Ottawa, ON K1A 0R6, Canada

来源：

CHEMICAL PHYSICS LETTERS | 1969年 / 3卷 / 06期

基金：

英国医学研究理事会;

关键词：

D O I：

10.1016/0009-2614(69)80147-8

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Calculations were carried out on the He isoelectronic series with a simple, two-parameter Laplace transform kernel which has a non-exponential transform. Close to Hartree-Fock accuracy was obtained. A physically plausible criterion for selecting kernels is sven.

引用

页码：395 / 397

页数：3

共 7 条

[1] ATOMIC SCREENING CONSTANTS FROM SCF FUNCTIONS
CLEMENTI, E
RAIMONDI, DL
[J]. JOURNAL OF CHEMICAL PHYSICS, 1963, 38 (11) : 2686 - &
[2] HULTHEN ORBITAL AND HULTHEN CORRELATION FACTOR FOR GROUND STATE OF HELIUMLIKE SYSTEMS
PARR, RG
WEARE, JH
[J]. PROGRESS OF THEORETICAL PHYSICS, 1966, 36 (04): : 854 - &
[3] WHY NOT USE SLATER ORBITALS OF NONINTEGRAL PRINCIPAL QUANTUM NUMBER
PARR, RG
JOY, HW
[J]. JOURNAL OF CHEMICAL PHYSICS, 1957, 26 (02) : 424 - 424
[4] ANALYTICAL SELF-CONSISTENT FIELD FUNCTIONS FOR THE ATOMIC CONFIGURATIONS 1S2, 1S22S, AND 1S22S2
ROOTHAAN, CCJ
SACHS, LM
WEISS, AW
[J]. REVIEWS OF MODERN PHYSICS, 1960, 32 (02) : 186 - 194
[5] Slater transform functions. Another class of approximate wave functions
Shillady, D. D.
[J]. CHEMICAL PHYSICS LETTERS, 1969, 3 (01) : 17 - 19
[6] Somorjai RL, 1968, CHEM PHYS LETT, V2, P399, DOI 10.1016/0009-2614(68)80037-5
[7] TENHOOR MJ, 1968, INT J QUANTUM CHEM, V2, P109

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