Literature DB >> 24320357

Communication: A reduced-space algorithm for the solution of the complex linear response equations used in coupled cluster damped response theory.

Joanna Kauczor1, Patrick Norman, Ove Christiansen, Sonia Coriani.   

Abstract

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.

Year:  2013        PMID: 24320357     DOI: 10.1063/1.4840275

Source DB:  PubMed          Journal:  J Chem Phys        ISSN: 0021-9606            Impact factor:   3.488


  1 in total

1.  XABOOM: An X-ray Absorption Benchmark of Organic Molecules Based on Carbon, Nitrogen, and Oxygen 1s → π* Transitions.

Authors:  Thomas Fransson; Iulia E Brumboiu; Marta L Vidal; Patrick Norman; Sonia Coriani; Andreas Dreuw
Journal:  J Chem Theory Comput       Date:  2021-02-05       Impact factor: 6.006

  1 in total

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