Self-consistent calculation of excited 1P state wave functions of atoms
Article first published online: 12 OCT 2004
Copyright © 1970 John Wiley & Sons, Inc.
International Journal of Quantum Chemistry
Volume 4, Issue 2, pages 139–147, March 1970
How to Cite
Mukherjee, P. K., Sengupta, S. and Mukherji, A. (1970), Self-consistent calculation of excited 1P state wave functions of atoms. Int. J. Quantum Chem., 4: 139–147. doi: 10.1002/qua.560040203
- Issue published online: 12 OCT 2004
- Article first published online: 12 OCT 2004
- Manuscript Revised: 25 AUG 1969
- Manuscript Received: 2 MAY 1969
In an earlier paper (Bibliography ) 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 21P, 31P and 41P states of the He sequence up to C4+ 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.