Recent Progress in Density Functional Theory and Its Applications

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2007 Theoretical chemistry Z 0350 Recent Progress in Density Functional Theory and Its Applications — [76 refs.]. — (KIM, S.-G.; KIM, S.; HOUZE, J.; Recent Res. Dev. Quantum Chem. 5 (2006) 15-53; Dep. Phys. Astron., Miss. State Univ., Mississippi State, MS 39762, USA; Eng.) — Schramke 51- 272

Transcript of Recent Progress in Density Functional Theory and Its Applications

Page 1: Recent Progress in Density Functional Theory and Its Applications

2007

Theoretical chemistryZ 0350 Recent Progress in Density Functional Theory and Its Applications — [76 refs.].

— (KIM, S.-G.; KIM, S.; HOUZE, J.; Recent Res. Dev. Quantum Chem. 5 (2006) 15-53; Dep. Phys. Astron., Miss. State Univ., Mississippi State, MS 39762, USA; Eng.) — Schramke

51- 272

Density-decomposed orbital-free density functional theory for … · 2019-12-19 · PHYSICAL REVIEW B 86, 235109 (2012) Density-decomposed orbital-free density functional theory for

Density-decomposed orbital-free density functional theory for … · 2019-12-19 · PHYSICAL REVIEW B 86, 235109 (2012) Density-decomposed orbital-free density functional theory for

Density functional theory lecture notes

Density functional theory lecture notes

FOUNDATIONS OF DENSITY-FUNCTIONAL THEORY

FOUNDATIONS OF DENSITY-FUNCTIONAL THEORY

The Gutzwiller Density Functional Theory

The Gutzwiller Density Functional Theory

Density Functional Theory for Nuclei · A Primer in Density Functional Theory) response of energy to perturbations of the density energy functional =⇒plug in candidate density,

Density Functional Theory for Nuclei · A Primer in Density Functional Theory) response of energy to perturbations of the density energy functional =⇒plug in candidate density,

Density Functional Theory: from theory to Applications · Elementary Quantum Mechanics Density Functional Theory Recommended readings: I Density-Functional Theory of Atoms and Molecules

Density Functional Theory: from theory to Applications · Elementary Quantum Mechanics Density Functional Theory Recommended readings: I Density-Functional Theory of Atoms and Molecules

Introduction to Density Functional Theory

Introduction to Density Functional Theory

Density-Functional Theory Molecular Dynamics Simulations ...kummelgroup.ucsd.edu/pubs/papers_dec2015/Chagarov_SiGe.pdf · Density-Functional Theory Molecular Dynamics Simulations

Density-Functional Theory Molecular Dynamics Simulations ...kummelgroup.ucsd.edu/pubs/papers_dec2015/Chagarov_SiGe.pdf · Density-Functional Theory Molecular Dynamics Simulations

Curing Abnormality in Density Functional Theory: Density-Corrected Density Functional …tccl.yonsei.ac.kr/mediawiki/images/2/2f/2015_KMC_Doctor.pdf · 2015-04-20 · Curing Abnormality

Curing Abnormality in Density Functional Theory: Density-Corrected Density Functional …tccl.yonsei.ac.kr/mediawiki/images/2/2f/2015_KMC_Doctor.pdf · 2015-04-20 · Curing Abnormality

Recent progress in linear-scaling density functional calculations … · 2012-06-29 · density functional theory to achieve computational cost and memory requirements which increase

Recent progress in linear-scaling density functional calculations … · 2012-06-29 · density functional theory to achieve computational cost and memory requirements which increase

Kinetic energy density for orbital‐free density functional ... · Kinetic energy density for orbital-free density functional calculations by axiomatic approach ... ð21Þm11 d dxa

Kinetic energy density for orbital‐free density functional ... · Kinetic energy density for orbital-free density functional calculations by axiomatic approach ... ð21Þm11 d dxa

Density functional theory and energy density functionals in …dobaczew/Tokyo2010/CNSEFES10... · 2011. 5. 17. · Density functional theory and energy ... The Negele-Vautherin density-matrix

Density functional theory and energy density functionals in …dobaczew/Tokyo2010/CNSEFES10... · 2011. 5. 17. · Density functional theory and energy ... The Negele-Vautherin density-matrix

Introduction to Orbital-Free Density-Functional Theory · Basics of functional derivatives I Principles of Orbital-free Density-Functional Theory • basics of Density-Functional

Introduction to Orbital-Free Density-Functional Theory · Basics of functional derivatives I Principles of Orbital-free Density-Functional Theory • basics of Density-Functional

Introduction to density functional theory - YAMBO · PDF fileIntroduction to DFT - Myrta Grüning Introduction to density functional theory What is density functional theory How does

Introduction to density functional theory - YAMBO · PDF fileIntroduction to DFT - Myrta Grüning Introduction to density functional theory What is density functional theory How does

DENSITY-FUNCTIONAL PRACTICE

DENSITY-FUNCTIONAL PRACTICE

UNEDF1 Energy Density Functional

UNEDF1 Energy Density Functional

Progress in Time-Dependent Density-Functional Theory arXiv ... · arXiv:1108.0611v1 [physics.chem-ph] 2 Aug 2011 Progress in Time-Dependent Density-Functional Theory 1 Progress in

Progress in Time-Dependent Density-Functional Theory arXiv ... · arXiv:1108.0611v1 [physics.chem-ph] 2 Aug 2011 Progress in Time-Dependent Density-Functional Theory 1 Progress in

Density Functional Theory for Emergents

Density Functional Theory for Emergents

Density-functional Perturbation Theory

Density-functional Perturbation Theory

CHEM6085: Density Functional Theory€¦ · CHEM6085 Density Functional Theory CHEM6085: Density Functional Theory. 2 ... How do the Kohn-Sham molecular orbitals differ between a

CHEM6085: Density Functional Theory€¦ · CHEM6085 Density Functional Theory CHEM6085: Density Functional Theory. 2 ... How do the Kohn-Sham molecular orbitals differ between a