AGP Propagator calculations

Hans Jørgen Hans*, Brian Weiner, Yngve Öhrn

*Kontaktforfatter for dette arbejde

Publikation: Bidrag til tidsskriftTidsskriftartikelForskningpeer review

Resumé

The use of the antisymmetrized geminal power (AGP) consistent reference state for RPA polarization propagator calculations is explored. Illustrative applications to the three lowest electronic states (3B1, 1A1, and 1B1) of the methylene radical are reported with comparisons to other theoretical methods and experiment.

OriginalsprogEngelsk
TidsskriftInternational Journal of Quantum Chemistry
Vol/bind23
Udgave nummer1
Sider (fra-til)65-70
Antal sider6
ISSN0020-7608
DOI
StatusUdgivet - 1. jan. 1983

Fingeraftryk

Electronic states
methylene
Polarization
propagation
polarization
electronics
Experiments
methylene radical

Citer dette

Hans, Hans Jørgen ; Weiner, Brian ; Öhrn, Yngve. / AGP Propagator calculations. I: International Journal of Quantum Chemistry. 1983 ; Bind 23, Nr. 1. s. 65-70.
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AGP Propagator calculations. / Hans, Hans Jørgen; Weiner, Brian; Öhrn, Yngve.

I: International Journal of Quantum Chemistry, Bind 23, Nr. 1, 01.01.1983, s. 65-70.

Publikation: Bidrag til tidsskriftTidsskriftartikelForskningpeer review

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AU - Öhrn, Yngve

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