4.7 Article

Rethinking linearized coupled-cluster theory

相关参考文献

注意:仅列出部分参考文献,下载原文获取全部文献信息。
Article Chemistry, Physical

Generating functionals based formulation of the method of moments of coupled cluster equations

Karol Kowalski et al.

JOURNAL OF CHEMICAL PHYSICS (2009)

Article Chemistry, Physical

Stability conditions for the coupled cluster equations

Peter Szakacs et al.

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2008)

Article Chemistry, Physical

Parallel implementation of electronic structure energy, gradient, and Hessian calculations

V. Lotrich et al.

JOURNAL OF CHEMICAL PHYSICS (2008)

Article Chemistry, Physical

Optimized effective potentials from arbitrary basis sets

Tim Heaton-Burgess et al.

JOURNAL OF CHEMICAL PHYSICS (2008)

Article Chemistry, Physical

Improving upon CCSD(T):: ΛCCSD(T).: II.: Stationary formulation and derivatives

Andrew G. Taube et al.

JOURNAL OF CHEMICAL PHYSICS (2008)

Article Chemistry, Physical

Improving upon CCSD(T):: ΛCCSD(T).: I. Potential energy surfaces

Andrew G. Taube et al.

JOURNAL OF CHEMICAL PHYSICS (2008)

Article Chemistry, Physical

The limits of local correlation theory: Electronic delocalization and chemically smooth potential energy surfaces

Joseph E. Subotnik et al.

JOURNAL OF CHEMICAL PHYSICS (2008)

Article Chemistry, Physical

Ab initio density functional theory applied to quasidegenerate problems

Ireneusz Grabowski et al.

JOURNAL OF CHEMICAL PHYSICS (2007)

Article Physics, Multidisciplinary

Optimized effective potentials in finite basis sets

Tim Heaton-Burgess et al.

PHYSICAL REVIEW LETTERS (2007)

Review Physics, Multidisciplinary

Coupled-cluster theory in quantum chemistry

Rodney J. Bartlett et al.

REVIEWS OF MODERN PHYSICS (2007)

Article Physics, Multidisciplinary

Time-reversible Born-Oppenheimer molecular dynamics

Anders M. N. Niklasson et al.

PHYSICAL REVIEW LETTERS (2006)

Review Chemistry, Physical

High-accuracy quantum mechanical studies of π-π interactions in benzene dimers

Mutasem Omar Sinnokrot et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2006)

Article Chemistry, Physical

Ab initio correlation functionals from second-order perturbation theory

Igor V. Schweigert et al.

JOURNAL OF CHEMICAL PHYSICS (2006)

Article Chemistry, Physical

A local correlation model that yields intrinsically smooth potential-energy surfaces

JE Subotnik et al.

JOURNAL OF CHEMICAL PHYSICS (2005)

Article Chemistry, Multidisciplinary

Frozen natural orbitals: Systematic basis set truncation for coupled-cluster theory

AG Taube et al.

COLLECTION OF CZECHOSLOVAK CHEMICAL COMMUNICATIONS (2005)

Article Chemistry, Physical

Accelerated, energy-conserving Born-Oppenheimer molecular dynamics via Fock matrix extrapolation

JM Herbert et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2005)

Article Chemistry, Physical

Fock matrix dynamics

P Pulay et al.

CHEMICAL PHYSICS LETTERS (2004)

Article Chemistry, Physical

Can optimized effective potentials be determined uniquely?

S Hirata et al.

JOURNAL OF CHEMICAL PHYSICS (2001)

Article Chemistry, Physical

Ab initio molecular dynamics:: Propagating the density matrix with Gaussian orbitals

HB Schlegel et al.

JOURNAL OF CHEMICAL PHYSICS (2001)

Article Chemistry, Physical

The accurate determination of molecular equilibrium structures

KL Bak et al.

JOURNAL OF CHEMICAL PHYSICS (2001)

Article Chemistry, Physical

Benchmark variational coupled cluster doubles results

T Van Voorhis et al.

JOURNAL OF CHEMICAL PHYSICS (2000)

Review Chemistry, Physical

Ab initio multiple spawning:: Photochemistry from first principles quantum molecular dynamics

M Ben-Nun et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2000)

Article Chemistry, Physical

The mechanism for unimolecular decomposition of RDX (1,3,5-trinitro-1,3,5-triazine), an ab initio study

D Chakraborty et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2000)