A New Hybrid Exchange–Correlation Functional Using The Coulomb-attenuating Method (CAM-B3LYP)

·2004·DOI
Health Sciences and Innovation
Chemical and Material Sciences
Advanced Catalysis and Material Science
Ab Initio Computational Theory

Role in the Field

Neutralin Health Sciences and Innovation
Neutralin Chemical and Material Sciences
Neutralin Advanced Catalysis and Material Science
Neutralin Ab Initio Computational Theory

Abstract

Citations

12,325

Year

2004

PageRank

4.6 / 10

Relative influence (log-scaled)

Related Papers

11 of 11 papers

A Consistent And Accurate Ab Initio Parametrization Of Density Functional Dispersion Correction (DFT-D) For The 94 Elements H-Pu
·2010·43,178 citations
The M06 Suite Of Density Functionals For Main Group Thermochemistry, Thermochemical Kinetics, Noncovalent Interactions, Excited States, And Transition Elements: Two New Functionals And Systematic Testing Of Four M06-class Functionals And 12 Other Functionals
·2007·25,342 citations
Semiempirical GGA-type Density Functional Constructed With A Long-Range Dispersion Correction
·2006·25,942 citations
Balanced Basis Sets Of Split Valence, Triple Zeta Valence And Quadruple Zeta Valence Quality For H To Rn: Design And Assessment Of Accuracy
·2005·22,955 citations
Coot: Model-Building Tools For Molecular Graphics
·2004·28,578 citations
Efficient Iterative Schemes Forab Initiototal-Energy Calculations Using A Plane-Wave Basis Set
·1996·98,407 citations
Efficiency Of Ab-Initio Total Energy Calculations For Metals And Semiconductors Using A Plane-Wave Basis Set
·1996·60,847 citations
VMD: Visual Molecular Dynamics.
·1996·37,745 citations
Density‐functional Thermochemistry. III. The Role Of Exact Exchange
·1993·90,865 citations
Gaussian Basis Sets For Use In Correlated Molecular Calculations. I. The Atoms Boron Through Neon And Hydrogen
·1989·28,122 citations
The Calculation Of Small Molecular Interactions By The Differences Of Separate Total Energies. Some Procedures With Reduced Errors
·1970·20,075 citations