Rydberg States of the Helium Atom

被引：11

作者：

Deng, Jia ^{[1
]}

Gilbert, Andrew T. B. ^{[1
]}

Gill, Peter M. W. ^{[1
]}

机构：

[1] Australian Natl Univ, Res Sch Chem, Canberra, ACT 0200, Australia

来源：

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | 2009年 / 109卷 / 09期

关键词：

Rydberg states; excited states; helium; maximum overlap method; Hartree-Fock restoration; COULOMB; CHEMISTRY; IONS;

D O I：

10.1002/qua.22015

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：

Using the recently introduced maximum overlap method and Hartree-Fock Perturbation Theory (HFPT), we compute Hartree-Fock (HF) wavefunctions for triplet 1s ns states of the helium atom. Comparison with near-exact results from Nakatsuji's free ICI method reveals that HF theory provides a simple route to accurate energies of these Rydberg states, especially for large n. (c) 2009 Wiley Periodicals, Inc. Int J Quantum Chem 109: 1915-1919, 2009

引用

页码：1915 / 1919

页数：5

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