(Q50967075)

26 March 2018

title

Long-range corrected density functional study on weakly bound systems: balanced descriptions of various types of molecular interactions. (English)

1 reference

26 March 2018

main subject

molecular interaction

1 reference

0 references

Takeshi Sato

1

1 reference

26 March 2018

Takao Tsuneda

series ordinal

2

1 reference

26 March 2018

Kimiko Hirao

series ordinal

3

1 reference

26 March 2018

language of work or name

English

0 references

publication date

1 June 2007

1 reference

26 March 2018

Journal of Chemical Physics

published in

1 reference

26 March 2018

volume

126

1 reference

26 March 2018

issue

23

1 reference

26 March 2018

page(s)

234114

1 reference

26 March 2018

Self-Consistent Equations Including Exchange and Correlation Effects

cites work

1 reference

A critical note on density functional theory studies on rare-gas dimers

21 January 2018

1 reference

A density-functional study on pi-aromatic interaction: benzene dimer and naphthalene dimer.

21 January 2018

1 reference

Estimates of the ab initio limit for pi-pi interactions: the benzene dimer

21 January 2018

1 reference

High-level ab initio computations of structures and interaction energies of naphthalene dimers: origin of attraction and its directionality

21 January 2018

1 reference

Origin of attraction and directionality of the pi/pi interaction: model chemistry calculations of benzene dimer interaction

21 January 2018

1 reference

Toward true DNA base-stacking energies: MP2, CCSD(T), and complete basis set calculations

21 January 2018

1 reference

Accurate description of van der Waals complexes by density functional theory including empirical corrections

21 January 2018

1 reference

Semiempirical GGA-type density functional constructed with a long-range dispersion correction.

21 January 2018

1 reference

Density functional theory augmented with an empirical dispersion term. Interaction energies and geometries of 80 noncovalent complexes compared withab initioquantum mechanics calculations

21 January 2018

1 reference

How well can new-generation density functional methods describe stacking interactions in biological systems?

21 January 2018

1 reference

Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

21 January 2018

1 reference

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

21 January 2018

1 reference

Self-interaction correction to density-functional approximations for many-electron systems

21 January 2018

1 reference

Excitations in time-dependent density-functional theory.

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

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

Atomic Screening Constants from SCF Functions

21 January 2018

1 reference

Density-functional exchange-energy approximation with correct asymptotic behavior

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

The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors

21 January 2018

1 reference

van der Waals Volumes and Radii

21 January 2018

1 reference

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

21 January 2018

1 reference

Contracted Gaussian basis sets for molecular calculations. I. Second row atoms, Z=11–18

21 January 2018

1 reference

Benchmark Databases for Nonbonded Interactions and Their Use To Test Density Functional Theory

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

Density Functionals for Noncovalent Interaction Energies of Biological Importance

21 January 2018

1 reference

Hybrid Meta Density Functional Theory Methods for Thermochemistry, Thermochemical Kinetics, and Noncovalent Interactions: The MPW1B95 and MPWB1K Models and Comparative Assessments for Hydrogen Bonding and van der Waals Interactions

21 January 2018

1 reference

Design of Density Functionals That Are Broadly Accurate for Thermochemistry, Thermochemical Kinetics, and Nonbonded Interactions

21 January 2018

1 reference

Density Functional for Spectroscopy: No Long-Range Self-Interaction Error, Good Performance for Rydberg and Charge-Transfer States, and Better Performance on Average than B3LYP for Ground States

21 January 2018

1 reference

Benchmark database of accurate (MP2 and CCSD(T) complete basis set limit) interaction energies of small model complexes, DNA base pairs, and amino acid pairs

21 January 2018

1 reference

21 January 2018

Identifiers

DOI

10.1063/1.2747243

1 reference

26 March 2018

1 reference

26 March 2018