Orbital-optimized MP2.5 and its analytic gradients: approaching CCSD(T) quality for noncovalent interactions.
about
Analytic energy gradients for orbital-optimized MP3 and MP2.5 with the density-fitting approximation: An efficient implementation.Assessment of the extended Koopmans' theorem for the chemical reactivity: Accurate computations of chemical potentials, chemical hardnesses, and electrophilicity indices.Orbital-optimized linearized coupled-cluster doubles with density-fitting and Cholesky decomposition approximations: an efficient implementation.
P2860
Orbital-optimized MP2.5 and its analytic gradients: approaching CCSD(T) quality for noncovalent interactions.
description
2014 nî lūn-bûn
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name
Orbital-optimized MP2.5 and its analytic gradients: approaching CCSD
@nl
Orbital-optimized MP2.5 and it ...... for noncovalent interactions.
@en
type
label
Orbital-optimized MP2.5 and its analytic gradients: approaching CCSD
@nl
Orbital-optimized MP2.5 and it ...... for noncovalent interactions.
@en
prefLabel
Orbital-optimized MP2.5 and its analytic gradients: approaching CCSD
@nl
Orbital-optimized MP2.5 and it ...... for noncovalent interactions.
@en
P2860
P356
P1476
Orbital-optimized MP2.5 and it ...... y for noncovalent interactions
@en
P2093
C David Sherrill
Uğur Bozkaya
P2860
P304
P356
10.1063/1.4902226
P407
P577
2014-11-01T00:00:00Z