Judging Density-Functional Approximations: Some Pitfalls of Statistics

Doping effects on the geometric and electronic structure of tin clusters

Physical Chemistry Chemical Physics ◽

10.1039/c9cp05124d ◽

2019 ◽

Vol 21 (44) ◽

pp. 24478-24488 ◽

Cited By ~ 1

Author(s):

Martin Gleditzsch ◽

Marc Jäger ◽

Lukáš F. Pašteka ◽

Armin Shayeghi ◽

Rolf Schäfer

Keyword(s):

Density Functional Theory ◽

Electronic Structure ◽

Density Functional ◽

Beam Deflection ◽

Functional Theory ◽

Doping Effects ◽

Depth Analysis ◽

Trajectory Simulations

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.

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

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

Accurate density functional thermochemistry for larger molecules

Molecular Physics ◽

10.1080/00268979709482745 ◽

1997 ◽

Vol 91 (3) ◽

pp. 555-559 ◽

Cited By ~ 5

Author(s):

KRISHNAN RAGHAVACHARI ◽

BORIS STEFANOV ◽

LARRY CURTISS

Keyword(s):

Density Functional

A hybrid Gaussian and plane wave density functional scheme

Molecular Physics ◽

10.1080/00268979709482119 ◽

1997 ◽

Vol 92 (3) ◽

pp. 477-487 ◽

Cited By ~ 289

Author(s):

GERALD LIPPERT ◽

JuRG HUTTER ◽

MICHELE PARRINELLO

Keyword(s):

Plane Wave ◽

Density Functional ◽

Functional Scheme

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

Structure and phase transitions in a network-forming associating Lennard-Jones fluid in a slit-like pore: a density functional approach

Molecular Physics ◽

10.1080/002689799163154 ◽

1999 ◽

Vol 97 (8) ◽

pp. 919-930 ◽

Cited By ~ 3

Author(s):

Adrian Huerta, Stefan Sokolowski, Orest Pi

Keyword(s):

Phase Transitions ◽

Density Functional ◽

Functional Approach ◽

Lennard Jones

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

Chemical Applications of Density-Functional Theory

10.1021/bk-1996-0629 ◽

1996 ◽

Cited By ~ 39

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Functional Theory

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