(Q51603460)

8 April 2018

title

Can orbital-free density functional theory simulate molecules? (English)

1 reference

8 April 2018

density functional theory

main subject

1 reference

4

Emily A Carter

1 reference

8 April 2018

author name string

Junchao Xia

series ordinal

1

1 reference

8 April 2018

Chen Huang

series ordinal

2

1 reference

8 April 2018

Ilgyou Shin

series ordinal

3

1 reference

8 April 2018

language of work or name

English

0 references

publication date

1 February 2012

1 reference

8 April 2018

Journal of Chemical Physics

published in

1 reference

8 April 2018

volume

136

1 reference

8 April 2018

issue

8

1 reference

8 April 2018

page(s)

084102

1 reference

8 April 2018

Inhomogeneous Electron Gas

cites work

1 reference

Self-Consistent Equations Including Exchange and Correlation Effects

21 January 2018

1 reference

Norm-Conserving Pseudopotentials

21 January 2018

1 reference

Transferable local pseudopotentials for magnesium, aluminum and silicon.

21 January 2018

1 reference

First principles local pseudopotential for silver: towards orbital-free density-functional theory for transition metals.

21 January 2018

1 reference

The calculation of atomic fields

21 January 2018

1 reference

On the Stability of Molecules in the Thomas-Fermi Theory

21 January 2018

1 reference

The Thomas-Fermi Theory of Atoms, Molecules and Solids

21 January 2018

1 reference

Zur Theorie der Kernmassen

21 January 2018

1 reference

Improving the orbital-free density functional theory description of covalent materials

21 January 2018

1 reference

Chemical bond as a test of density-gradient expansions for kinetic and exchange energies

21 January 2018

1 reference

Ultrasoft spin-dependent pseudopotentials

21 January 2018

1 reference

Ground State of the Electron Gas by a Stochastic Method

21 January 2018

1 reference

Self-interaction correction to density-functional approximations for many-electron systems

21 January 2018

1 reference

Accurate and simple analytic representation of the electron-gas correlation energy

21 January 2018

1 reference

Generalized Gradient Approximation Made Simple

21 January 2018

1 reference

Spin-density gradient expansion for the kinetic energy

21 January 2018

1 reference

Conjugate-gradient optimization method for orbital-free density functional calculations.

21 January 2018

1 reference

First-principles computation of material properties: the ABINIT software project

21 January 2018

1 reference

The lowest energy states of the group-IIIA-group-VA heteronuclear diatomics: BN, BP, AlN, and AlP from full configuration interaction calculations

21 January 2018

1 reference

The Compressibility of Media under Extreme Pressures

21 January 2018

1 reference

Crystal Structure of Lithium at 4.2 K

21 January 2018

1 reference

Ab initio calculations of structural and electronic properties of gallium solid-state phases

21 January 2018

1 reference

Refinement of the crystal structure of black phosphorus

21 January 2018

1 reference

Nonlinear ionic pseudopotentials in spin-density-functional calculations

21 January 2018

1 reference

21 January 2018

Identifiers

DOI

10.1063/1.3685604

1 reference

8 April 2018

1 reference

8 April 2018