Nonadiabatic core polarization and penetration correction in alkali-like atoms: model computations on excited states of helium

Journal Article · Mon Sep 01 04:00:00 EDT 1975 · Int. J. Quant. Chem., v. 9, no. 5, pp. 835-853

DOI:https://doi.org/10.1002/qua.560090508· OSTI ID:4049002

Young, R H; Deal, W J

Correlation between the motion of a highly excited outer electron and that of the remaining ionic ''core'' of an atom is generally treated in an adiabatic approximation, in which it is assumed that the outer electron affects the core in the same way as a stationary point charge. An alternative approach to this correlation problem which avoids the adiabatic approximation is tested here on the 1s2p, 1s3d, and 1s4f states of helium. The results provide the first accurate test of the adiabatic approximation and of a simple correction for the nonzero velocity of the outer electron. The approach used is based on neglect, in the ''correlation'' part of the wave function, of the possibility that the outer electron comes closer to the nucleus than any core electron (''penetration''). A correction for this neglect is derived and tested on a version of the adiabatic approximation that likewise neglects penetration. (auth)

• Research Organization: Eastman Kodak Co., Rochester, NY
• Sponsoring Organization: USDOE
• NSA Number: NSA-33-024308
• OSTI ID: 4049002
• Journal Information: Int. J. Quant. Chem., v. 9, no. 5, pp. 835-853, Journal Name: Int. J. Quant. Chem., v. 9, no. 5, pp. 835-853; ISSN IJQCB
• Country of Publication: United States
• Language: English

Related Subjects

*HELIUM-- ENERGY LEVELS
640302* --Physics Research--Atomic
Molecular & Chemical Physics--Atomic & Molecular Properties
ADIABATIC APPROXIMATION
ATOMS
CORRECTIONS
CORRELATIONS
ELECTRONIC STRUCTURE
N60200* --Physics (Atomic & Molecular)--Atomic & Molecular Properties
POINT CHARGE
POLARIZATION
VELOCITY
WAVE FUNCTIONS