Journal article icon

Journal article

CALCULATION OF VANDERWAALS SPECTRA FOR H2HF, D2HF, AND H2DF

Abstract:

Calculations of spectra for the excitation of the van der Waals modes in the weakly bound complexes H2HF, D2HF, and H2DF are reported. An ab initio potential energy surface has been computed using the coupled electron pair approximation with a large basis set. The rovibrational bound states for the complexes are calculated using a variational method. A self-consistent field approach is used to optimize the basis sets for bending and stretching motion in the van der Waals complex. The calculat...

Expand abstract
Publication status:
Published

Actions


Access Document


Publisher copy:
10.1063/1.458976

Authors


KNOWLES, P More by this author
Journal:
JOURNAL OF CHEMICAL PHYSICS
Volume:
93
Issue:
9
Pages:
6334-6349
Publication date:
1990-11-01
DOI:
ISSN:
0021-9606
URN:
uuid:3b6b2401-6da6-44cc-b86e-5da6d9f6403c
Source identifiers:
52853
Local pid:
pubs:52853
Language:
English

Terms of use


Metrics



If you are the owner of this record, you can report an update to it here: Report update to this record

TO TOP