(Q51609502)

8 April 2018

title

An incremental correlation approach to excited state energies based on natural transition/localized orbitals. (English)

1 reference

8 April 2018

author

Ricardo A. Mata

series ordinal

1

1 reference

8 April 2018

author name string

Hermann Stoll

series ordinal

2

1 reference

8 April 2018

language of work or name

English

0 references

publication date

1 January 2011

1 reference

8 April 2018

Journal of Chemical Physics

published in

1 reference

8 April 2018

volume

134

1 reference

8 April 2018

issue

3

1 reference

8 April 2018

page(s)

034122

1 reference

8 April 2018

Linear-scaling atomic orbital-based second-order Møller-Plesset perturbation theory by rigorous integral screening criteria.

cites work

1 reference

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

21 January 2018

1 reference

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

21 January 2018

1 reference

Extending the power of quantum chemistry to large systems with the fragment molecular orbital method

21 January 2018

1 reference

Fully automated implementation of the incremental scheme: application to CCSD energies for hydrocarbons and transition metal compounds.

21 January 2018

1 reference

Implementation and performance of a domain-specific basis set incremental approach for correlation energies: applications to hydrocarbons and a glycine oligomer

21 January 2018

1 reference

Local CC2 electronic excitation energies for large molecules with density fitting.

21 January 2018

1 reference

Transition strengths and first-order properties of excited states from local coupled cluster CC2 response theory with density fitting.

21 January 2018

1 reference

Application of high level wavefunction methods in quantum mechanics/molecular mechanics hybrid schemes.

21 January 2018

1 reference

Time-dependent density functional theory based upon the fragment molecular orbital method.

21 January 2018

1 reference

Polarizable continuum model with the fragment molecular orbital-based time-dependent density functional theory

21 January 2018

1 reference

Absorption spectra of estradiol and tryptophan constructed by the statistical and elongation methods.

21 January 2018

1 reference

Density-functional thermochemistry. III. The role of exact exchange

21 January 2018

1 reference

Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen

21 January 2018

1 reference

Correlation regions within a localized molecular orbital approach.

21 January 2018

1 reference

Benchmarks for electronically excited states: CASPT2, CC2, CCSD, and CC3

21 January 2018

1 reference

Fast linear scaling second-order Møller-Plesset perturbation theory (MP2) using local and density fitting approximations

21 January 2018

1 reference

21 January 2018

Identifiers

DOI

10.1063/1.3522881

1 reference

8 April 2018

1 reference

8 April 2018