Calculating vibrational spectra without determining excited eigenstates: Solving the complex linear equations of damped response theory for vibrational configuration interaction and vibrational coupled cluster states-Reference-Cited by-同舟云学术

Calculating vibrational spectra without determining excited eigenstates: Solving the complex linear equations of damped response theory for vibrational configuration interaction and vibrational coupled cluster states

Published:2015-10-07 Issue:13 Volume:143 Page:134108
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:J. Chem. Phys.

Author:

Godtliebsen Ian H.¹^ORCID,Christiansen Ove¹^ORCID

Affiliation:

1. Department of Chemistry, Aarhus University, 8000 Aarhus C, Denmark

Funder

Sapere Aude III

Lundbeckfonden (Lundbeck Foundation)

Danish e-Infrastructure Cooperation (DeIC)

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

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5. Modification of Davidson's method for the calculation of eigenvalues and eigenvectors of large real-symmetric matrices: “root homing procedure”

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