Self-Consistent Range-Separated Density-Functional Theory with Second-Order Perturbative Correction via the Optimized-Effective-Potential Method

Journal of Chemical Theory and Computation ◽

10.1021/acs.jctc.9b00807 ◽

2019 ◽

Vol 16 (1) ◽

pp. 211-223 ◽

Author(s):

Szymon Śmiga ◽

Ireneusz Grabowski ◽

Mateusz Witkowski ◽

Bastien Mussard ◽

Julien Toulouse

Keyword(s):

Density Functional Theory ◽

Effective Potential ◽

Density Functional ◽

Potential Method ◽

Second Order ◽

Functional Theory ◽

Perturbative Correction ◽

Self Consistent ◽

Optimized Effective Potential

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Self-consistent double-hybrid density-functional theory using the optimized-effective-potential method

The Journal of Chemical Physics ◽

10.1063/1.4964319 ◽

2016 ◽

Vol 145 (14) ◽

pp. 144102 ◽

Author(s):

Szymon Śmiga ◽

Odile Franck ◽

Bastien Mussard ◽

Adam Buksztel ◽

Ireneusz Grabowski ◽

...

Keyword(s):

Density Functional Theory ◽

Effective Potential ◽

Density Functional ◽

Potential Method ◽

Hybrid Density Functional Theory ◽

Functional Theory ◽

Self Consistent ◽

Optimized Effective Potential ◽

Hybrid Density Functional

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Optimized effective potential method based on spin-resolved components of the second-order correlation energy in density functional theory

Physical Review B ◽

10.1103/physrevb.87.075103 ◽

2013 ◽

Vol 87 (7) ◽

Author(s):

I. Grabowski ◽

E. Fabiano ◽

F. Della Sala

Keyword(s):

Density Functional Theory ◽

Effective Potential ◽

Density Functional ◽

Correlation Energy ◽

Potential Method ◽

Second Order ◽

Functional Theory ◽

Optimized Effective Potential

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Simple Iterative Procedure for Optimized Effective Potential Method in Density Functional Theory and in Current Density Functional Theory

Journal of the Physical Society of Japan ◽

10.1143/jpsj.75.014302 ◽

2006 ◽

Vol 75 (1) ◽

pp. 014302 ◽

Author(s):

Keiji Kosaka

Keyword(s):

Density Functional Theory ◽

Current Density ◽

Effective Potential ◽

Iterative Procedure ◽

Density Functional ◽

Potential Method ◽

Functional Theory ◽

Optimized Effective Potential

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Optimized effective potential method in current-spin-density-functional theory

Physical Review A ◽

10.1103/physreva.74.062511 ◽

2006 ◽

Vol 74 (6) ◽

Author(s):

S. Pittalis ◽

S. Kurth ◽

N. Helbig ◽

E. K. U. Gross

Keyword(s):

Density Functional Theory ◽

Spin Density ◽

Effective Potential ◽

Density Functional ◽

Potential Method ◽

Functional Theory ◽

Optimized Effective Potential

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The optimized effective potential method of density functional theory: Applications to atomic and molecular systems

International Journal of Quantum Chemistry ◽

10.1002/(sici)1097-461x(1997)64:1<95::aid-qua10>3.0.co;2-5 ◽

1997 ◽

Vol 64 (1) ◽

pp. 95-110 ◽

Author(s):

T. Grabo ◽

E. K. U. Gross

Keyword(s):

Density Functional Theory ◽

Effective Potential ◽

Density Functional ◽

Potential Method ◽

Functional Theory ◽

Molecular Systems ◽

Method Of Density Functional ◽

Optimized Effective Potential

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- Single Determinantal Approximations: Hartree–Fock, Optimized Effective Potential Theory, Density Functional Theory

Concepts and Methods in Modern Theoretical Chemistry ◽

10.1201/b14048-21 ◽

2016 ◽

pp. 290-331

Keyword(s):

Density Functional Theory ◽

Potential Theory ◽

Effective Potential ◽

Density Functional ◽

Functional Theory ◽

Hartree Fock ◽

Optimized Effective Potential

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Time-Local Equation for the Exact Optimized Effective Potential in Time-Dependent Density Functional Theory

Physical Review Letters ◽

10.1103/physrevlett.118.243001 ◽

2017 ◽

Vol 118 (24) ◽

Author(s):

Sheng-Lun Liao ◽

Tak-San Ho ◽

Herschel Rabitz ◽

Shih-I Chu

Keyword(s):

Density Functional Theory ◽

Effective Potential ◽

Density Functional ◽

Time Dependent ◽

Local Equation ◽

Functional Theory ◽

Optimized Effective Potential ◽

Dependent Density

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Optimized effective potential in real time: Problems and prospects in time-dependent density-functional theory

Physical Review A ◽

10.1103/physreva.74.022511 ◽

2006 ◽

Vol 74 (2) ◽

Author(s):

Michael Mundt ◽

Stephan Kümmel

Keyword(s):

Density Functional Theory ◽

Real Time ◽

Effective Potential ◽

Density Functional ◽

Time Dependent ◽

Functional Theory ◽

Optimized Effective Potential ◽

Dependent Density

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Systematic approximations to the optimized effective potential: Application to orbital-density-functional theory

Physical Review A ◽

10.1103/physreva.46.5453 ◽

1992 ◽

Vol 46 (9) ◽

pp. 5453-5458 ◽

Author(s):

J. B. Krieger ◽

Yan Li ◽

G. J. Iafrate

Keyword(s):

Density Functional Theory ◽

Effective Potential ◽

Potential Application ◽

Density Functional ◽

Functional Theory ◽

Optimized Effective Potential ◽

Orbital Density

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Density Functional Theory with Optimized Effective Potential: An Application to Hollow Atoms in the Bulk of Metallic Materials

Journal of the Chinese Chemical Society ◽

10.1002/jccs.200100071 ◽

2001 ◽

Vol 48 (3) ◽

pp. 477-482

Author(s):

Xiao-Min Tong ◽

Daiji Kato ◽

Tsutomu Watanabe ◽

Hiroshi Shimizu ◽

Chikashi Yamada ◽

...

Keyword(s):

Density Functional Theory ◽

Effective Potential ◽

Density Functional ◽

Metallic Materials ◽

Functional Theory ◽

Optimized Effective Potential

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