Calculation of frequency dependent optical rotation using density functional response theory

2001 ◽  
Vol 339 (5-6) ◽  
pp. 380-388 ◽  
Author(s):  
Stefan Grimme
Keyword(s):  
Functional Response ◽  
Density Functional ◽  
Optical Rotation ◽  
Response Theory ◽  
Frequency Dependent

Arbitrary-Order Density Functional Response Theory from Automatic Differentiation

2010 ◽  
Vol 6 (7) ◽  
pp. 1971-1980 ◽  
Author(s):  
Ulf Ekström ◽  
Lucas Visscher ◽  
Radovan Bast ◽  
Andreas J. Thorvaldsen ◽  
Kenneth Ruud
Keyword(s):  
Functional Response ◽  
Density Functional ◽  
Automatic Differentiation ◽  
Arbitrary Order ◽  
Response Theory

Tight-binding approach to time-dependent density-functional response theory

2001 ◽  
Vol 63 (8) ◽  
Author(s):  
T. A. Niehaus ◽  
S. Suhai ◽  
F. Della Sala ◽  
P. Lugli ◽  
M. Elstner ◽  
...  
Keyword(s):  
Functional Response ◽  
Density Functional ◽  
Tight Binding ◽  
Time Dependent ◽  
Response Theory ◽  
Dependent Density

Application of time-dependent density functional response theory to Raman scattering

1996 ◽  
Vol 259 (5-6) ◽  
pp. 599-604 ◽  
Author(s):  
S.J.A. van Gisbergen ◽  
J.G. Snijders ◽  
E.J. Baerends
Keyword(s):  
Raman Scattering ◽  
Functional Response ◽  
Density Functional ◽  
Time Dependent ◽  
Response Theory ◽  
Dependent Density

Benchmarking two-photon absorption with CC3 quadratic response theory, and comparison with density-functional response theory

2006 ◽  
Vol 124 (5) ◽  
pp. 054322 ◽  
Author(s):  
Martin J. Paterson ◽  
Ove Christiansen ◽  
Filip Pawłowski ◽  
Poul Jørgensen ◽  
Christof Hättig ◽  
...  
Keyword(s):  
Functional Response ◽  
Density Functional ◽  
Photon Absorption ◽  
Response Theory ◽  
Two Photon Absorption ◽  
Two Photon ◽  
Quadratic Response
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