NASA Logo

NTRS

NTRS - NASA Technical Reports Server

Back to Results
Core-core and core-valence correlationThe effect of 1s core correlation on properties and energy separations are analyzed using full configuration-interaction (FCI) calculations. The Be1S - 1P, the C 3P - 5S,m and CH(+) 1Sigma(+) - 1Pi separations, and CH(+) spectroscopic constants, dipole moment, and 1Sigma(+) - 1Pi transition dipole moment have been studied. The results of the FCI calculations are compared to those obtained using approximate methods.
Document ID
19880040718
Acquisition Source
Legacy CDMS
Document Type
Reprint (Version printed in journal)
Authors
Bauschlicher, Charles W., Jr.
(NASA Ames Research Center Moffett Field, CA, United States)
Langhoff, Stephen R.
(NASA Ames Research Center Moffett Field, CA, United States)
Taylor, Peter R.
(Eloret Institute Sunnyvale, CA, United States)
Date Acquired
August 13, 2013
Publication Date
February 15, 1988
Publication Information
Publication: Journal of Chemical Physics
Volume: 88
ISSN: 0021-9606
Subject Category
Atomic And Molecular Physics
Accession Number
88A27945
Funding Number(s)
CONTRACT_GRANT: NCC2-371
Distribution Limits
Public
Copyright
Other

Available Downloads

There are no available downloads for this record.
No Preview Available