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Rydberg states of the helium atom
Author(s) -
Deng Jia,
Gilbert Andrew T. B.,
Gill Peter M. W.
Publication year - 2009
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.22015
Subject(s) - rydberg formula , wave function , rydberg atom , atomic physics , perturbation theory (quantum mechanics) , helium atom , hartree–fock method , fock space , helium , physics , quantum , atom (system on chip) , quantum mechanics , chemistry , ionization , ion , embedded system , computer science
Using the recently introduced maximum overlap method and Hartree–Fock Perturbation Theory (HFPT), we compute Hartree–Fock (HF) wavefunctions for triplet 1 s 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 . © 2009 Wiley Periodicals, Inc. Int J Quantum Chem, 2009