Calculation of frequency-dependent polarizabilities using general coupled-cluster models

2006 ◽  
Vol 768 (1-3) ◽  
pp. 71-77 ◽  
Author(s):  
Mihály Kállay ◽  
Jürgen Gauss
Keyword(s):  
Cluster Models ◽  
Coupled Cluster ◽  
Frequency Dependent

Calculation of frequency-dependent hyperpolarizabilities using general coupled-cluster models

2007 ◽  
Vol 127 (13) ◽  
pp. 134109 ◽  
Author(s):  
Darragh P. O’Neill ◽  
Mihály Kállay ◽  
Jürgen Gauss
Keyword(s):  
Cluster Models ◽  
Coupled Cluster ◽  
Frequency Dependent

scholarly journals Incremental evaluation of coupled cluster dipole polarizabilities

2015 ◽  
Vol 17 (22) ◽  
pp. 14284-14296 ◽  
Author(s):  
Joachim Friedrich ◽  
Harley R. McAlexander ◽  
Ashutosh Kumar ◽  
T. Daniel Crawford
Keyword(s):  
Linear Response ◽  
Coupled Cluster ◽  
Response Frequency ◽  
Frequency Dependent ◽  
Incremental Evaluation ◽  
Incremental Scheme ◽  
Dipole Polarizabilities

In this work we present the first implementation of the incremental scheme for coupled cluster linear-response frequency-dependent dipole polarizabilities.

A comparison of density-functional-theory and coupled-cluster frequency-dependent polarizabilities and hyperpolarizabilities

2005 ◽  
Vol 103 (2-3) ◽  
pp. 439-450 ◽  
Author(s):  
Paweł Sałek ¶ ◽  
Trygve Helgaker * ◽  
Olav Vahtras ◽  
Hans Ågren ◽  
Dan Jonsson ⊥ ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Coupled Cluster ◽  
Functional Theory ◽  
Frequency Dependent ◽  
Cluster Frequency

Static and frequency-dependent polarizabilities of excited singlet states using coupled cluster response theory

1998 ◽  
Vol 109 (21) ◽  
pp. 9237-9243 ◽  
Author(s):  
Christof Hättig ◽  
Ove Christiansen ◽  
Sonia Coriani ◽  
Poul Jo/rgensen
Keyword(s):  
Coupled Cluster ◽  
Response Theory ◽  
Excited Singlet ◽  
Frequency Dependent ◽  
Singlet States ◽  
Excited Singlet States
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