4.7 Article

The performance and relationship among range-separated schemes for density functional theory

Related references

Note: Only part of the references are listed.
Article Chemistry, Physical

Assessment of the omega B97 family for excited-state calculations

Denis Jacquemin et al.

THEORETICAL CHEMISTRY ACCOUNTS (2011)

Article Chemistry, Physical

Analytical Energy Gradients of Coulomb-Attenuated Time-Dependent Density Functional Methods for Excited States

Kiet A. Nguyen et al.

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2010)

Article Chemistry, Physical

Intramolecular Charge-Transfer Excitation Energies from Range-Separated Hybrid Functionals Using the Yukawa Potential

Yoshinobu Akinaga et al.

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2009)

Article Chemistry, Physical

Can short-range hybrids describe long-range-dependent properties?

Thomas M. Henderson et al.

JOURNAL OF CHEMICAL PHYSICS (2009)

Article Chemistry, Multidisciplinary

Reliable Prediction of Charge Transfer Excitations in Molecular Complexes Using Time-Dependent Density Functional Theory

Tamar Stein et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2009)

Article Chemistry, Physical

TDDFT diagnostic testing and functional assessment for triazene chromophores

Michael J. G. Peach et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2009)

Article Chemistry, Physical

Generalized gradient approximation model exchange holes for range-separated hybrids

Thomas M. Henderson et al.

JOURNAL OF CHEMICAL PHYSICS (2008)

Article Chemistry, Physical

Excitation energies in density functional theory: An evaluation and a diagnostic test

Michael J. G. Peach et al.

JOURNAL OF CHEMICAL PHYSICS (2008)

Article Chemistry, Physical

Systematic optimization of long-range corrected hybrid density functionals

Jeng-Da Chai et al.

JOURNAL OF CHEMICAL PHYSICS (2008)

Article Chemistry, Physical

Structure, optical properties and defects in nitride (III-V) nanoscale cage clusters

S. A. Shevlin et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2008)

Article Chemistry, Multidisciplinary

A self-contained and portable density functional theory library for use in ab initio quantum chemistry programs

Pawel Salek et al.

JOURNAL OF COMPUTATIONAL CHEMISTRY (2007)

Article Chemistry, Physical

Assessment of a long-range corrected hybrid functional

Oleg A. Vydrov et al.

JOURNAL OF CHEMICAL PHYSICS (2006)

Article Chemistry, Physical

Influence of Coulomb-attenuation on exchange-correlation functional quality

Michael J. G. Peach et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2006)

Article Chemistry, Physical

A new hybrid exchange-correlation functional using the Coulomb-attenuating method (CAM-B3LYP)

T Yanai et al.

CHEMICAL PHYSICS LETTERS (2004)

Article Chemistry, Physical

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

Y Tawada et al.

JOURNAL OF CHEMICAL PHYSICS (2004)

Article Chemistry, Physical

A long-range correction scheme for generalized-gradient-approximation exchange functionals

H Iikura et al.

JOURNAL OF CHEMICAL PHYSICS (2001)