Density functional theory of kinetic and exchange energies of atoms and molecules

A quantum chemical view of density funtional theory.

Baerends, E.J.
Gritsenko, O.V.

January 1997

A comparison is made between traditional quantum chemical approaches to the electron correlation pro...

Atomic decomposition of Kohn-Sham molecular energies: The kinetic energy component

Patrikeev, Leonid
Joubert, Laurent
Tognetti, Vincent

January 2016

International audienceThe decomposition of molecular energies into atomic contributions within Bader...

Atomic decomposition of Kohn-Sham molecular energies: The kinetic energy component

Patrikeev, Leonid
Joubert, Laurent
Tognetti, Vincent

January 2016

International audienceThe decomposition of molecular energies into atomic contributions within Bader...

Density functional theory of electronic structure

Hill, S
Oxford Univ. (United Kingdom)

January 1984

SIGLEAvailable from British Library Lending Division - LD:D58095/85 / BLDSC - British Library Docume...

Density functional theories of simple fluids and their mixtures

Sweatman, M

January 1995

SIGLEAvailable from British Library Document Supply Centre-DSC:DX188717 / BLDSC - British Library Do...

Density functionals and the Hubbard model

Rettke-Grover, J

January 1995

SIGLEAvailable from British Library Document Supply Centre- DSC:DXN002584 / BLDSC - British Library ...

Basics of the density functional theory

Jean-Louis Bretonnet

December 2017

The density functional theory (DFT) established itself as a well reputed way to compute the electron...

Density Functional Theory

Daniel Glossman-Mitnik

October 2019

Density Functional Theory (or DFT for short) is a potent methodology useful for calculating and unde...

Density functional theories and the structure of fluids near walls

Augousti, A.T
Kent Univ., Canterbury (United Kingdom)

January 1985

SIGLEAvailable from British Library Lending Division - LD:D57199/85 / BLDSC - British Library Docume...

Density Functional Theory Calculations

April 2021

This book is a contribution to the fast and broad Density Functional Theory (DFT) applications of th...

Density Functional Calculations - Recent Progresses of Theory and Application

Gang Yang

October 2019

Density functional theory (DFT) ranks as the most widely used quantum mechanical method and plays an...

Chapter 5 ORBITAL-FREE KINETIC-ENERGY DENSITY FUNCTIONAL THEORY

Yan Alex
Er Wang
Emily A. Carter

January 2015

Abstract In the beginning of quantum mechanical Density-Functional Theory (DFT), there was the Thoma...

Density Functional Theory Calculation

Janet Smith

September 2023

Density functional theory (DFT) is a computational quantum mechanical modeling used in physics, chem...

Simulation and density functional theory of simple inhomogeneous liquids

Calleja, M

January 1992

SIGLEAvailable from British Library Document Supply Centre- DSC:DX171736 / BLDSC - British Library D...

Density functional theory for the ground and first excited states of an inhomogeneous electron gas

Davis, K.D.

January 1982

SIGLELD:D48576/84 / BLDSC - British Library Document Supply CentreGBUnited Kingdo

A quantum chemical view of density funtional theory.

Baerends, E.J.
Gritsenko, O.V.

January 1997

A comparison is made between traditional quantum chemical approaches to the electron correlation pro...

Atomic decomposition of Kohn-Sham molecular energies: The kinetic energy component

Patrikeev, Leonid
Joubert, Laurent
Tognetti, Vincent

January 2016

International audienceThe decomposition of molecular energies into atomic contributions within Bader...

Atomic decomposition of Kohn-Sham molecular energies: The kinetic energy component

Patrikeev, Leonid
Joubert, Laurent
Tognetti, Vincent

January 2016

International audienceThe decomposition of molecular energies into atomic contributions within Bader...

Density functional theory of electronic structure

Hill, S
Oxford Univ. (United Kingdom)

January 1984

SIGLEAvailable from British Library Lending Division - LD:D58095/85 / BLDSC - British Library Docume...

Density functional theories of simple fluids and their mixtures

Sweatman, M

January 1995

SIGLEAvailable from British Library Document Supply Centre-DSC:DX188717 / BLDSC - British Library Do...

Density functionals and the Hubbard model

Rettke-Grover, J

January 1995

SIGLEAvailable from British Library Document Supply Centre- DSC:DXN002584 / BLDSC - British Library ...

Basics of the density functional theory

Jean-Louis Bretonnet

December 2017

The density functional theory (DFT) established itself as a well reputed way to compute the electron...

Density Functional Theory

Daniel Glossman-Mitnik

October 2019

Density Functional Theory (or DFT for short) is a potent methodology useful for calculating and unde...

Density functional theories and the structure of fluids near walls

Augousti, A.T
Kent Univ., Canterbury (United Kingdom)

January 1985

SIGLEAvailable from British Library Lending Division - LD:D57199/85 / BLDSC - British Library Docume...

Density Functional Theory Calculations

April 2021

This book is a contribution to the fast and broad Density Functional Theory (DFT) applications of th...

Density Functional Calculations - Recent Progresses of Theory and Application

Gang Yang

October 2019

Density functional theory (DFT) ranks as the most widely used quantum mechanical method and plays an...

Chapter 5 ORBITAL-FREE KINETIC-ENERGY DENSITY FUNCTIONAL THEORY

Yan Alex
Er Wang
Emily A. Carter

January 2015

Abstract In the beginning of quantum mechanical Density-Functional Theory (DFT), there was the Thoma...

Density Functional Theory Calculation

Janet Smith

September 2023

Density functional theory (DFT) is a computational quantum mechanical modeling used in physics, chem...

Simulation and density functional theory of simple inhomogeneous liquids

Calleja, M

January 1992

SIGLEAvailable from British Library Document Supply Centre- DSC:DX171736 / BLDSC - British Library D...

Density functional theory for the ground and first excited states of an inhomogeneous electron gas

Davis, K.D.

January 1982

SIGLELD:D48576/84 / BLDSC - British Library Document Supply CentreGBUnited Kingdo

A quantum chemical view of density funtional theory.

Baerends, E.J.
Gritsenko, O.V.

January 1997

A comparison is made between traditional quantum chemical approaches to the electron correlation pro...

Atomic decomposition of Kohn-Sham molecular energies: The kinetic energy component

Patrikeev, Leonid
Joubert, Laurent
Tognetti, Vincent

January 2016

International audienceThe decomposition of molecular energies into atomic contributions within Bader...

Atomic decomposition of Kohn-Sham molecular energies: The kinetic energy component

Patrikeev, Leonid
Joubert, Laurent
Tognetti, Vincent

January 2016

International audienceThe decomposition of molecular energies into atomic contributions within Bader...

Density functional theory of kinetic and exchange energies of atoms and molecules

Abstract

Extracted data

Density functional theory of kinetic and exchange energies of atoms and molecules

Abstract

Extracted data

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