On the inclusion of post-MP2 contributions to double-hybrid density functionals.
about
A computationally efficient double hybrid density functional based on the random phase approximation.CC/DFT Route toward Accurate Structures and Spectroscopic Features for Observed and Elusive Conformers of Flexible Molecules: Pyruvic Acid as a Case Study.A look at the density functional theory zoo with the advanced GMTKN55 database for general main group thermochemistry, kinetics and noncovalent interactions.
P2860
On the inclusion of post-MP2 contributions to double-hybrid density functionals.
description
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On the inclusion of post-MP2 contributions to double-hybrid density functionals.
@en
On the inclusion of post-MP2 contributions to double-hybrid density functionals.
@nl
type
label
On the inclusion of post-MP2 contributions to double-hybrid density functionals.
@en
On the inclusion of post-MP2 contributions to double-hybrid density functionals.
@nl
prefLabel
On the inclusion of post-MP2 contributions to double-hybrid density functionals.
@en
On the inclusion of post-MP2 contributions to double-hybrid density functionals.
@nl
P2860
P50
P356
P1476
On the inclusion of post-MP2 contributions to double-hybrid density functionals
@en
P2093
Lars Goerigk
P2860
P304
P356
10.1002/JCC.23972
P577
2015-07-01T00:00:00Z