Accurate Noncovalent Interaction Energies Using Truncated Basis Sets Based on Frozen Natural Orbitals.
about
Extensions and applications of the A24 data set of accurate interaction energies.Optimization of the linear-scaling local natural orbital CCSD(T) method: Redundancy-free triples correction using Laplace transform.Reduced-cost linear-response CC2 method based on natural orbitals and natural auxiliary functions.Evaluation of the restricted virtual space approximation in the algebraic-diagrammatic construction scheme for the polarization propagator to speed-up excited-state calculations.Analytic energy gradients for the coupled-cluster singles and doubles method with the density-fitting approximation.Tractability gains in symmetry-adapted perturbation theory including coupled double excitations: CCD+ST(CCD) dispersion with natural orbital truncations.Communication: resolving the three-body contribution to the lattice energy of crystalline benzene: benchmark results from coupled-cluster theory.
P2860
Q30978371-7A6E07AB-7665-4AE6-863F-0817A89FB459Q47818934-0494FBAF-0F1A-4AB4-9AF8-DB9524D07281Q47837880-A639A459-2C82-4BAD-8553-5D71B28B5FB9Q48043605-B3FD7DB9-F3D8-46E0-A48F-7FC496A7D0E4Q50650781-182F7F7A-982B-458B-A7A2-E835377958FAQ51143485-9589F8E6-85F2-4CFD-8156-ABA8CDA719ADQ53583113-F5213BE7-B1B8-4289-8D29-275346EA868F
P2860
Accurate Noncovalent Interaction Energies Using Truncated Basis Sets Based on Frozen Natural Orbitals.
description
2012 nî lūn-bûn
@nan
2012年の論文
@ja
2012年論文
@yue
2012年論文
@zh-hant
2012年論文
@zh-hk
2012年論文
@zh-mo
2012年論文
@zh-tw
2012年论文
@wuu
2012年论文
@zh
2012年论文
@zh-cn
name
Accurate Noncovalent Interacti ...... ed on Frozen Natural Orbitals.
@en
type
label
Accurate Noncovalent Interacti ...... ed on Frozen Natural Orbitals.
@en
prefLabel
Accurate Noncovalent Interacti ...... ed on Frozen Natural Orbitals.
@en
P356
P1476
Accurate Noncovalent Interacti ...... sed on Frozen Natural Orbitals
@en
P2093
A Eugene DePrince
P304
P356
10.1021/CT300780U
P50
P577
2012-12-07T00:00:00Z