Axel D. Becke - Publications, H-index & Citations

Axel D. Becke

Dalhousie University

60H指数

112论文数

21.6W被引数

收录论文 50

发表时间

A remarkably simple dispersion damping scheme and the DH24 double hybrid density functional

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2024-05-31

OAAI

Becke, Axel D.

Doubling down on density-functional theory

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2023-12-26

OAAI

Becke, Axel D.

A double-hybrid density functional based on good local physics with outstanding performance on the GMTKN55 database

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2023-04-17

OAAI

Becke, Axel D.; Santra, Golokesh; Martin, Jan M. L.

Density-functional theory vs density-functional fits: The best of both

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2022-12-15

PREAI

Becke, Axel D.

Density-functional theory vs density-functional fits

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2022-06-01

PREAI

Becke, Axel D.

Computational modeling of piezochromism in molecular crystals

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2020-06-15

PREAI

Feng, Xibo; Becke, Axel D.; Johnson, Erin R.

Quantum Chemical Methods for Modeling Covalent Modification of Biological Thiols

JOURNAL OF COMPUTATIONAL CHEMISTRY

IF4.8

2019-09-11

OAAI

Awoonor-Williams, Ernest; Isley, William C.; Dale, Stephen G.; Johnson, Erin R.; Yu, Haibo; Becke, Axel D.; Roux, Benoit; Rowley, Christopher N.

Dependence of the virial exciton model on basis set and exact-exchange fraction

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2019-06-24

OAAI

Becke, Axel D.

Communication: Becke's virial exciton model gives accurate charge-transfer excitation energies

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2018-12-20

OAAI

Feng, Xibo; Becke, Axel D.; Johnson, Erin R.

Pervasive Delocalisation Error Causes Spurious Proton Transfer in Organic Acid-Base Co-Crystals

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

IF16.9

2018-10-09

OAAI

LeBlanc, Luc M.; Dale, Stephen G.; Taylor, Christopher R.; Becke, Axel D.; Day, Graeme M.; Johnson, Erin R.

Communication: Optical gap in polyacetylene from a simple quantum chemistry exciton model

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2018-08-28

OAAI

Becke, Axel D.

Communication: Correct charge transfer in CT complexes from the Becke'05 density functional

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2018-06-06

OAAI

Becke, Axel D.; Dale, Stephen G.; Johnson, Erin R.

Singlet-triplet splittings from the virial theorem and single-particle excitation energies

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2018-01-29

PREAI

Becke, Axel D.

Interrogating the Becke'05 density functional for non-locality information

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2017-10-19

PREAI

Dale, Stephen G.; Johnson, Erin R.; Becke, Axel D.

Communication: DFT treatment of strong correlation in 3d transition-metal diatomics

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2017-06-07

OAAI

Johnson, Erin R.; Becke, Axel D.

Vertical excitation energies from the adiabatic connection

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2016-11-21

PREAI

Becke, Axel D.

Perspective: Fifty years of density-functional theory in chemical physics 透视: 化学物理学中的密度泛函理论五十年

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2014-04-01

1.3K

OAAI

Becke, Axel D.

Communication: Two-determinant mixing with a strong-correlation density functional

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2013-07-09

OAAI

Becke, Axel D.

Communication: Calibration of a strong-correlation density functional on transition-metal atoms

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2013-04-25

OAAI

Becke, Axel D.

Density functionals for static, dynamical, and strong correlation

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2013-02-20

158

PREAI

Becke, Axel D.

研究方向