NASA Logo

NTRS

NTRS - NASA Technical Reports Server

Back to Results
Computed potential surfaces for six low-lying states of Ni3Selected portions of the potential surfaces for six low lying states of Ni3 are the subject of the present SCF/CCI calculations using the effective core potentials developed by Hay and Wadt (1985); the four states are studied for near-equilateral triangle geometries are within 0.04 eV of each other. Two states are studied for linear geometries, of which the first is 0.16 eV higher than the corresponding near-equilateral triangle state and the second is estimated to be nearly degenerate with the near-equilateral triangle structures.
Document ID
19870052423
Acquisition Source
Legacy CDMS
Document Type
Reprint (Version printed in journal)
External Source(s)
Authors
Walch, Stephen P.
(Eloret Institute Sunnyvale, CA, United States)
Date Acquired
August 13, 2013
Publication Date
May 1, 1987
Publication Information
Publication: Journal of Chemical Physics
Volume: 86
ISSN: 0021-9606
Subject Category
Atomic And Molecular Physics
Accession Number
87A39697
Funding Number(s)
CONTRACT_GRANT: NCC2-296
Distribution Limits
Public
Copyright
Other

Available Downloads

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