DSpace Repository

On Some Aspects of Fock-Space Multi-Reference Coupled-Cluster Singles and Doubles Energies and Optical Properties

Show simple item record

dc.contributor.author Manohar, Prashant Uday
dc.date.accessioned 2021-11-11T10:57:31Z
dc.date.available 2021-11-11T10:57:31Z
dc.date.issued 2010-04
dc.identifier.uri https://link.springer.com/chapter/10.1007/978-90-481-2885-3_14
dc.identifier.uri http://dspace.bits-pilani.ac.in:8080/xmlui/handle/123456789/3336
dc.description.abstract Multi-reference coupled cluster methods are established as accurate and efficient tools for describing electronic structure of quasi degenerate states. Recently we have developed multi-reference coupled cluster linear response approach based on the constrained variation method. The method is very general and can describe challenging problems due to the multiple-root nature of effective Hamiltonian. Calculation of response properties for the ionized/electron attached or excited state molecules is a challenging task. With this formulation it is possible to accurately predict the higher order molecular properties of the open shell molecules. In this article we review the response approaches for quasi degenerate cases with emphasis on Fock space multi-reference coupled cluster method. en_US
dc.language.iso en en_US
dc.publisher Springer en_US
dc.subject Chemistry en_US
dc.subject Coupled-Cluster Singles en_US
dc.subject Doubles Energies en_US
dc.subject Optical Properties en_US
dc.title On Some Aspects of Fock-Space Multi-Reference Coupled-Cluster Singles and Doubles Energies and Optical Properties en_US
dc.type Article en_US


Files in this item

Files Size Format View

There are no files associated with this item.

This item appears in the following Collection(s)

Show simple item record

Search DSpace


Advanced Search

Browse

My Account