Communication: A reduced-space algorithm for the solution of the complex linear response equations used in coupled cluster damped response theory
2013 (English)In: Journal of Chemical Physics, ISSN 0021-9606, E-ISSN 1089-7690, Vol. 139, no 21, 211102- p.Article in journal (Refereed) Published
We present a reduced-space algorithm for solving the complex (damped) linear response equations required to compute the complex linear response function for the hierarchy of methods: coupled cluster singles, coupled cluster singles and iterative approximate doubles, and coupled cluster singles and doubles. The solver is the keystone element for the development of damped coupled cluster response methods for linear and nonlinear effects in resonant frequency regions.
Place, publisher, year, edition, pages
American Institute of Physics (AIP) , 2013. Vol. 139, no 21, 211102- p.
Engineering and Technology
IdentifiersURN: urn:nbn:se:liu:diva-103293DOI: 10.1063/1.4840275ISI: 000328636400002OAI: oai:DiVA.org:liu-103293DiVA: diva2:688492