Gradient expansion of the exchange energy from second-order density response theory

1996 ◽  
Vol 54 (24) ◽  
pp. 17402-17413 ◽  
Author(s):  
P. S. Svendsen ◽  
U. von Barth
Keyword(s):  
Second Order ◽  
Exchange Energy ◽  
Response Theory ◽  
Gradient Expansion ◽  
Density Response

Second-order classical nonlinear response theory

AIAA Journal ◽  
2001 ◽  
Vol 39 ◽  
pp. 962-965
Author(s):  
Abdulmuhsen H. Ali
Keyword(s):  
Nonlinear Response ◽  
Second Order ◽  
Response Theory

Study of the density-gradient expansion for the exchange energy

1982 ◽  
Vol 26 (8) ◽  
pp. 4371-4377 ◽  
Author(s):  
V. Sahni ◽  
J. Gruenebaum ◽  
J. P. Perdew
Keyword(s):  
Density Gradient ◽  
Exchange Energy ◽  
Gradient Expansion

The extended explicitly-correlated second-order approximate coupled-cluster singles and doubles ansatz suitable for response theory

2019 ◽  
Vol 150 (18) ◽  
pp. 184110 ◽  
Author(s):  
Sebastian Höfener ◽  
Nils Schieschke ◽  
Wim Klopper ◽  
Andreas Köhn
Keyword(s):  
Second Order ◽  
Coupled Cluster ◽  
Response Theory ◽  
Explicitly Correlated

A Comparison of Møller-Plesset and Coupled Cluster Linear Response Theory Methods for the Calculation of Dipole Oscillator Strength Sum Rules and C6 Dispersion Coefficients

2008 ◽  
Vol 73 (11) ◽  
pp. 1415-1436 ◽  
Author(s):  
Ivana Paidarová ◽  
Stephan P. A. Sauer
Keyword(s):  
Oscillator Strength ◽  
Linear Response ◽  
Sum Rules ◽  
Linear Response Theory ◽  
Second Order ◽  
Coupled Cluster ◽  
Response Theory ◽  
Polarization Propagator ◽  
Dipole Oscillator ◽  
Moller Plesset

Four correlated linear response theory methods - the second order polarization propagator approximation (SOPPA), the second order polarization propagator approximation with coupled cluster singles and doubles amplitudes, SOPPA(CCSD), the CC2 and coupled cluster singles doubles (CCSD) linear response theory - were used to determine the dipole oscillator strength sum rules of the hydrogen halides HX (with X = F, Cl, Br and I) and the C6 dispersion coefficient for all pairs of interacting HX molecules via numerical integration of the Casimir-Polder formula. The dependence of the polarizabilities, their frequency dependence and the C6 coefficients on the level of correlation and the dependence of the C6 coefficients on the two intramolecular bond lengths were studied.

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