Can short-range hybrids describe long-range-dependent properties? (Q39957862)

15 September 2017

title

Can short-range hybrids describe long-range-dependent properties? (English)

1 reference

15 September 2017

4

Gustavo E Scuseria

1 reference

15 September 2017

Thomas M Henderson

1

1 reference

15 September 2017

Artur F Izmaylov

series ordinal

2

1 reference

15 September 2017

Giovanni Scalmani

series ordinal

3

1 reference

15 September 2017

language of work or name

English

0 references

publication date

1 July 2009

1 reference

Journal of Chemical Physics

15 September 2017

published in

1 reference

15 September 2017

volume

131

1 reference

15 September 2017

issue

4

1 reference

15 September 2017

page(s)

044108

1 reference

A new mixing of Hartree–Fock and local density‐functional theories

15 September 2017

cites work

1 reference

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

21 January 2018

1 reference

Efficient evaluation of short-range Hartree-Fock exchange in large molecules and periodic systems.

21 January 2018

1 reference

An improved long-range corrected hybrid exchange-correlation functional including a short-range Gaussian attenuation (LCgau-BOP).

21 January 2018

1 reference

A long-range-corrected time-dependent density functional theory.

21 January 2018

1 reference

Nonlinear optical property calculations by the long-range-corrected coupled-perturbed Kohn-Sham method.

21 January 2018

1 reference

Density-Functional Theory for Fractional Particle Number: Derivative Discontinuities of the Energy

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

Self‐consistent molecular orbital methods. XX. A basis set for correlated wave functions

21 January 2018

1 reference

Evaluation of range-separated hybrid density functionals for the prediction of vibrational frequencies, infrared intensities, and Raman activities

21 January 2018

1 reference

Long-range corrected density functional calculations of chemical reactions: redetermination of parameter.

21 January 2018

1 reference

Development of density functionals for thermochemical kinetics

21 January 2018

1 reference

Development and Assessment of a New Hybrid Density Functional Model for Thermochemical Kinetics

21 January 2018

1 reference

Design of Density Functionals by Combining the Method of Constraint Satisfaction with Parametrization for Thermochemistry, Thermochemical Kinetics, and Noncovalent Interactions

21 January 2018

1 reference

Small Representative Benchmarks for Thermochemical Calculations

21 January 2018

1 reference

Accurate, two-state ab initio study of the ground and first-excited states of He2+, including exact treatment of all Born-Oppenheimer correction terms

21 January 2018

1 reference

21 January 2018

Identifiers

DOI

10.1063/1.3185673

1 reference

15 September 2017

1 reference