Rydberg states of the helium atom

Jia Deng; Andrew T.B. Gilbert; Peter M.W. Gill

doi:10.1002/qua.22015

Rydberg states of the helium atom

Jia Deng, Andrew T.B. Gilbert, Peter M.W. Gill

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

12 Citations (Scopus)

Abstract

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.

Original language	English
Pages (from-to)	1915-1919
Number of pages	5
Journal	International Journal of Quantum Chemistry
Volume	109
Issue number	9
DOIs	https://doi.org/10.1002/qua.22015
Publication status	Published - 2009

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10.1002/qua.22015

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title = "Rydberg states of the helium atom",

abstract = "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.",

keywords = "Excited states, Hartree-Fock restoration, Helium, Maximum overlap method, Rydberg states",

author = "Jia Deng and Gilbert, {Andrew T.B.} and Gill, {Peter M.W.}",

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AU - Deng, Jia

AU - Gilbert, Andrew T.B.

AU - Gill, Peter M.W.

PY - 2009

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N2 - 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.

AB - 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.

KW - Excited states

KW - Hartree-Fock restoration

KW - Helium

KW - Maximum overlap method

KW - Rydberg states

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U2 - 10.1002/qua.22015

DO - 10.1002/qua.22015

M3 - Article

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VL - 109

SP - 1915

EP - 1919

JO - International Journal of Quantum Chemistry

JF - International Journal of Quantum Chemistry

IS - 9

ER -

Rydberg states of the helium atom

Abstract

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