Density Functional Theory of Atoms and Molecules

Horizons of Quantum Chemistry ◽

10.1007/978-94-009-9027-2_2 ◽

1980 ◽

pp. 5-15 ◽

Cited By ~ 112

Author(s):

Robert G. Parr

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Functional Theory ◽

Atoms And Molecules

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Density-functional-theory calculations of matter in strong magnetic fields. I. Atoms and molecules

Physical Review A ◽

10.1103/physreva.74.062507 ◽

2006 ◽

Vol 74 (6) ◽

Cited By ~ 48

Author(s):

Zach Medin ◽

Dong Lai

Keyword(s):

Density Functional Theory ◽

Magnetic Fields ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Functional Theory ◽

Strong Magnetic Fields ◽

Atoms And Molecules

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Exchange and correlation in density functional theory of atoms and molecules

Topics in Current Chemistry - Density Functional Theory I ◽

10.1007/3-540-61091-x_3 ◽

1996 ◽

pp. 57-106 ◽

Cited By ~ 11

Author(s):

A. Holas ◽

N. H. March

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Functional Theory ◽

Atoms And Molecules ◽

Exchange And Correlation

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Density Functional Theory of Atoms and Molecules

Mathematical Methods in Physics - Progress in Mathematical Physics ◽

10.1007/978-3-319-14045-2_37 ◽

2015 ◽

pp. 563-573 ◽

Cited By ~ 1

Author(s):

Philippe Blanchard ◽

Erwin Brüning

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Functional Theory ◽

Atoms And Molecules

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Alternative density functional theory for atoms and molecules

Journal of Physics B Atomic Molecular and Optical Physics ◽

10.1088/0953-4075/29/6/002 ◽

1996 ◽

Vol 29 (6) ◽

pp. L173-L179 ◽

Cited By ~ 14

Author(s):

R K Nesbet

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Functional Theory ◽

Atoms And Molecules

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Density functional. Theory and application to atoms and molecules

Physics Reports ◽

10.1016/s0370-1573(97)00083-5 ◽

1998 ◽

Vol 298 (1) ◽

pp. 1-79 ◽

Cited By ~ 108

Author(s):

Á. Nagy

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Functional Theory ◽

Atoms And Molecules

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The polarisability of atoms and molecules: a comparison between a conceptual density functional theory approach and time-dependent density functional theory

Molecular Physics ◽

10.1080/00268976.2015.1021110 ◽

2015 ◽

Vol 113 (13-14) ◽

pp. 1890-1898 ◽

Cited By ~ 9

Author(s):

Zino Boisdenghien ◽

Stijn Fias ◽

Fabiana Da Pieve ◽

Frank De Proft ◽

Paul Geerlings

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Time Dependent ◽

Theory Approach ◽

Conceptual Density Functional Theory ◽

Functional Theory ◽

Atoms And Molecules ◽

Dependent Density

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Local density functional theory of atoms and molecules

Proceedings of the National Academy of Sciences ◽

10.1073/pnas.76.6.2522 ◽

1979 ◽

Vol 76 (6) ◽

pp. 2522-2526 ◽

Cited By ~ 113

Author(s):

R. G. Parr ◽

S. R. Gadre ◽

L. J. Bartolotti

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Local Density ◽

Functional Theory ◽

Atoms And Molecules ◽

Local Density Functional Theory ◽

Local Density Functional

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Relativistic density functional theory: reduction of many-electron problem of atoms and molecules to a one-electron Dirac equation

Journal of Molecular Structure THEOCHEM ◽

10.1016/0166-1280(93)90075-m ◽

1993 ◽

Vol 279 ◽

pp. 273-279 ◽

Cited By ~ 3

Author(s):

A. Holas ◽

N.H. March

Keyword(s):

Density Functional Theory ◽

Dirac Equation ◽

Density Functional ◽

Theory Reduction ◽

Functional Theory ◽

Atoms And Molecules

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Density-Functional Theory of Atoms and Molecules

Zeitschrift für Physikalische Chemie ◽

10.1524/zpch.1995.191.part_2.277a ◽

1995 ◽

Vol 191 (Part_2) ◽

pp. 277-278 ◽

Cited By ~ 4

Author(s):

E. Gey

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Functional Theory ◽

Atoms And Molecules

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Density functional theory study of nitrogen atoms and molecules interacting with Fe(1 1 1) surfaces

Nuclear Instruments and Methods in Physics Research Section B Beam Interactions with Materials and Atoms ◽

10.1016/j.nimb.2016.03.002 ◽

2016 ◽

Vol 382 ◽

pp. 105-109 ◽

Cited By ~ 3

Author(s):

M.A. Nosir ◽

L. Martin-Gondre ◽

G.A. Bocan ◽

R. Díez Muiño

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Atoms And Molecules

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