SUPERFLUID LDA (SLDA): LOCAL DENSITY APPROXIMATION FOR SYSTEMS WITH SUPERFLUID CORRELATIONS

We present a concise account of our development of the first genuine Local Density Approximation (LDA) to the Energy Density Functional (EDF) for fermionic systems with superfluid correlations, with a particular emphasis to nuclear systems.

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Application of a Coulomb energy density functional for atomic nuclei: Case studies of local density approximation and generalized gradient approximation

Physical Review C ◽

10.1103/physrevc.97.044319 ◽

2018 ◽

Vol 97 (4) ◽

Cited By ~ 6

Author(s):

Tomoya Naito ◽

Ryosuke Akashi ◽

Haozhao Liang

Keyword(s):

Energy Density ◽

Local Density Approximation ◽

Density Functional ◽

Local Density ◽

Coulomb Energy ◽

Density Approximation ◽

Generalized Gradient ◽

Energy Density Functional ◽

Generalized Gradient Approximation ◽

Atomic Nuclei

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Beyond the local density approximation : improving density functional theory for high energy density physics applications.

10.2172/976954 ◽

2006 ◽

Author(s):

Ann Elisabet Mattsson ◽

Normand Arthur Modine ◽

Michael Paul Desjarlais ◽

Richard Partain Muller ◽

Mark P. Sears ◽

...

Keyword(s):

Density Functional Theory ◽

Energy Density ◽

Local Density Approximation ◽

Density Functional ◽

Local Density ◽

High Energy ◽

High Energy Density ◽

Density Approximation ◽

Functional Theory ◽

High Energy Density Physics

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Exchange energy density in density-functional theory via the Dirac density matrix for a nonrelativistic 10-electron atomic ion compared with Becke’s proposal for a gradient-corrected local-density-approximation result

Physical Review A ◽

10.1103/physreva.79.042506 ◽

2009 ◽

Vol 79 (4) ◽

Author(s):

M. L. Glasser ◽

N. H. March ◽

L. M. Nieto

Keyword(s):

Density Functional Theory ◽

Energy Density ◽

Density Matrix ◽

Local Density Approximation ◽

Density Functional ◽

Local Density ◽

Exchange Energy ◽

Density Approximation ◽

Approximation Result ◽

Functional Theory

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Physical Interpretation of the Local Density Approximation and Slater Theory via Quantal Density Functional Theory

Quantal Density Functional Theory ◽

10.1007/978-3-662-49842-2_10 ◽

2016 ◽

pp. 313-339

Author(s):

Viraht Sahni

Keyword(s):

Density Functional Theory ◽

Physical Interpretation ◽

Local Density Approximation ◽

Density Functional ◽

Local Density ◽

Density Approximation ◽

Functional Theory ◽

Quantal Density Functional Theory

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ELECTRONIC AND DYNAMICAL PROPERTIES OF MgB2 AND RELATED COMPOUNDS

International Journal of Modern Physics B ◽

10.1142/s0217979202011093 ◽

2002 ◽

Vol 16 (11n12) ◽

pp. 1563-1569 ◽

Cited By ~ 3

Author(s):

G. PROFETA ◽

A. CONTINENZA ◽

F. BERNARDINI ◽

G. SATTA ◽

S. MASSIDDA

Keyword(s):

Density Functional Theory ◽

Local Density Approximation ◽

Density Functional ◽

Local Density ◽

Density Approximation ◽

Superconducting Properties ◽

Functional Theory ◽

The Density Functional Theory ◽

Dynamical Properties ◽

Related Compounds

We report a detailed study of the electronic and dynamical properties of MgB2 , BeB2 and of the AlMgB4 superlattice, within the local density approximation to the density functional theory. On the basis of our results we discuss the superconducting properties of these systems, and point to the high T c in MgB2 as a fortunate combination of events.

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A New Approach to Noncollinear Spin Density Functional Theory beyond the Local Density Approximation

Journal of Chemical Theory and Computation ◽

10.1021/ct300441z ◽

2012 ◽

Vol 8 (7) ◽

pp. 2193-2196 ◽

Cited By ~ 52

Author(s):

Giovanni Scalmani ◽

Michael J. Frisch

Keyword(s):

Density Functional Theory ◽

Spin Density ◽

Local Density Approximation ◽

Density Functional ◽

Local Density ◽

Density Approximation ◽

Functional Theory ◽

New Approach

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THE PROBLEM OF THE BAND GAP IN LDA CALCULATIONS

Surface Review and Letters ◽

10.1142/s0218625x07009499 ◽

2007 ◽

Vol 14 (03) ◽

pp. 481-487 ◽

Cited By ~ 42

Author(s):

I. N. YAKOVKIN ◽

P. A. DOWBEN

Keyword(s):

Density Functional Theory ◽

Band Structure ◽

Band Gap ◽

Local Density Approximation ◽

Density Functional ◽

Local Density ◽

Fine Tuning ◽

Density Approximation ◽

Functional Theory ◽

Basic Physics

In calculating band structure, the local density approximation and density functional theory are widely popular and do reproduce a lot of the basic physics. Regrettably, without some fine tuning, the local density approximation and density functional theory do not generally get the details of the experimental band structure correct, in particular the band gap in semiconductors and insulators is generally found to be too small when compared with experiment. For experimentalists using commercial packages to calculate the electronic structure of materials, some caution is indicated, as some long-standing problems exist with the local density approximation and density functional theory.

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