On-top density functionals for the short-range dynamic correlation between electrons of opposite and parallel spin

2018 ◽  
Vol 148 (16) ◽  
pp. 164111 ◽  
Author(s):  
Joshua W. Hollett ◽  
Nicholas Pegoretti
Keyword(s):  
Short Range ◽  
Density Functionals ◽  
Dynamic Correlation

Range separated hybrids of pair coupled cluster doubles and density functionals

2015 ◽  
Vol 17 (34) ◽  
pp. 22412-22422 ◽  
Author(s):  
Alejandro J. Garza ◽  
Ireneusz W. Bulik ◽  
Thomas M. Henderson ◽  
Gustavo E. Scuseria
Keyword(s):  
Low Cost ◽  
Coupled Cluster ◽  
Density Functionals ◽  
Dynamic Correlation

Using the technique of range separation, we combine pair coupled cluster doubles (pCCD) with density functionals in order to incorporate dynamic correlation in pCCD while maintaining its low cost.

Combining long-range configuration interaction with short-range density functionals

1997 ◽  
Vol 275 (3-4) ◽  
pp. 151-160 ◽  
Author(s):  
Thierry Leininger ◽  
Hermann Stoll ◽  
Hans-Joachim Werner ◽  
Andreas Savin
Keyword(s):  
Long Range ◽  
Configuration Interaction ◽  
Short Range ◽  
Density Functionals ◽  
Range Density

A meta-GGA level screened range-separated hybrid functional by employing short range Hartree–Fock with a long range semilocal functional

2018 ◽  
Vol 20 (13) ◽  
pp. 8999-9005 ◽  
Author(s):  
Subrata Jana ◽  
Prasanjit Samal
Keyword(s):  
Solid State ◽  
Long Range ◽  
Short Range ◽  
Density Functionals ◽  
Hybrid Functional ◽  
Hartree Fock ◽  
Wide Range

The range-separated hybrid density functionals are very successful in describing a wide range of molecular and solid-state properties accurately.

Importance of short-range versus long-range Hartree-Fock exchange for the performance of hybrid density functionals

2006 ◽  
Vol 125 (7) ◽  
pp. 074106 ◽  
Author(s):  
Oleg A. Vydrov ◽  
Jochen Heyd ◽  
Aliaksandr V. Krukau ◽  
Gustavo E. Scuseria
Keyword(s):  
Long Range ◽  
Short Range ◽  
Density Functionals ◽  
Hartree Fock
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