How to Improve Functionals in Density Functional Theory? —Formalism and Benchmark Calculation—

In depth analysis of doping effects on the geometric and electronic structure of tin clusters via electric beam deflection, numerical trajectory simulations and density functional theory.

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What correlation effects are covered by density functional theory?

Molecular Physics ◽

10.1080/002689700424440 ◽

2000 ◽

Vol 98 (20) ◽

pp. 1639-1658 ◽

Cited By ~ 5

Author(s):

Yuan He, Jurgen Grafenstein, Elfi Kraka,

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Correlation Effects ◽

Functional Theory

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Associating fluids with four bonding sites against a hard wall: density functional theory

Molecular Physics ◽

10.1080/00268979709482661 ◽

1997 ◽

Vol 90 (5) ◽

pp. 759-771 ◽

Cited By ~ 16

Author(s):

CHAD SEGURA ◽

WALTER CHAPMAN ◽

KESHAWA SHUKLA

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Hard Wall ◽

Associating Fluids ◽

Functional Theory

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Density functional theory and the asymptotic high density expansion of the free energy of classical solids and fluids

Molecular Physics ◽

10.1080/002689798167052 ◽

1998 ◽

Vol 95 (2) ◽

pp. 141-150 ◽

Cited By ~ 18

Author(s):

YAAKOV ROSENFELD PEDRO TARAZONA

Keyword(s):

Density Functional Theory ◽

Free Energy ◽

Density Functional ◽

High Density ◽

Functional Theory ◽

Density Expansion

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Methylene imino radical H2CN : matrix isolation ESR and density functional theory study

Molecular Physics ◽

10.1080/002689799165107 ◽

1999 ◽

Vol 96 (6) ◽

pp. 993-1000 ◽

Cited By ~ 2

Author(s):

PAUL H. KASAI

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Matrix Isolation ◽

Density Functional Theory Study ◽

Functional Theory

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Chemical Applications of Density-Functional Theory

10.1021/bk-1996-0629 ◽

1996 ◽

Cited By ~ 39

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Functional Theory

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Information Density Functional Theory: A Quantum and Organizational Approach to Counterterrorism

PsycEXTRA Dataset ◽

10.1037/e538052010-001 ◽

2003 ◽

Cited By ~ 1

Author(s):

W. Lawless

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Functional Theory ◽

Information Density ◽

Organizational Approach

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Density Functional Theory

10.1016/s0065-3276(08)x6029-0 ◽

1998 ◽

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Functional Theory

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On the gaussian-type orbitals approach to local density functional theory

Journal de Chimie Physique ◽

10.1051/jcp/1989860671 ◽

1989 ◽

Vol 86 ◽

pp. 671-688 ◽

Cited By ~ 62

Author(s):

B.I. Dunlap ◽

N. Rösch

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Local Density ◽

Functional Theory ◽

Gaussian Type ◽

Local Density Functional Theory ◽

Local Density Functional

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