Premium
Self‐consistent calculation of excited 1 P state wave functions of atoms
Author(s) -
Mukherjee P. K.,
Sengupta S.,
Mukherji A.
Publication year - 1970
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.560040203
Subject(s) - wave function , polarizability , excited state , gravitational singularity , atomic physics , perturbation (astronomy) , perturbation theory (quantum mechanics) , yield (engineering) , hartree–fock method , physics , quantum mechanics , chemistry , molecule , thermodynamics
Abstract In an earlier paper (Bibliography [1]) it has been shown that approximate representations of excited states of atoms can be obtained from the study of the singularities in the dynamic polarizability. Starting with these wave functions a more accurate calculation of the excited states in the Hartree–Fock scheme can be made by a perturbation treatment. The resulting wave functions yield significantly improved energy values. The 2 1 P , 3 1 P and 4 1 P states of the He sequence up to C 4+ are studied. The expectation values of a number of operators are calculated. The results obtained by the present method compare favourably with other elaborate calculations.