- Exact-exchange Kohn-Sham formalism applied to one-dimensional periodic electronic systems Stefan Rohra,1 Eberhard Engel,2 and Andreas Grling1
- 6 January 1999 Z .Chemical Physics Letters 299 1999 165170
- Relativistic Density Functional Theory Reiner M. Dreizler and Eberhard Engel
- Quantum Systems in Chemistry and Physics
- Influence of electronic exchange on single and multiple processes in collisions between bare ions and noble-gas atoms
- Pseudopotentials from orbital-dependent exchange-correlation functionals A. Hock and E. Engel
- Examining the role of pseudopotentials in exact-exchange-based Kohn-Sham gaps Adi Makmal,1 Rickard Armiento,2 Eberhard Engel,3 Leeor Kronik,1 and Stephan Kmmel2
- From Explicit to Implicit Density Functionals
- van der Waals bonds in density-functional theory E. Engel,1,2
- VOLUME 86, NUMBER 11 P H Y S I C A L R E V I E W L E T T E R S 12 MARCH 2001 Investigation of the Correlation Potential from Kohn-Sham Perturbation Theory
- Role of the core-valence interaction for pseudopotential calculations with exact exchange E. Engel, A. Hock, R. N. Schmid, and R. M. Dreizler
- Relevance of core-valence interaction for electronic structure calculations with exact exchange Center for Scientific Computing, J.W. Goethe-Universitt Frankfurt, Max-von-Laue-Strasse 1, D-60438 Frankfurt/Main, Germany
- Relativistic exchange-correlation energy functional: Gauge dependence of the no-pair correlation energy
- Relativistic Density Functional Calculations for Pt2 J. Anton, T. Jacob, and B. Fricke
- Approximate relativistic optimized potential method T. Kreibich and E. K. U. Gross
- Generalized gradient approximation for the relativistic exchange-only energy functional E. Engel, S. Keller, and R. M. Dreizler
- Relativistic optimized potential method for open-shell systems D. Kdderitzsch,1 H. Ebert,1 and E. Engel2
- INSTITUTE OF PHYSICS PUBLISHING JOURNAL OF PHYSICS B: ATOMIC, MOLECULAR AND OPTICAL PHYSICS J. Phys. B: At. Mol. Opt. Phys. 35 (2002) 293307 PII: S0953-4075(02)28420-5
- John von Neumann Institute for Computing Application of Implicit Density Functionals
- Relativistic Density Functional Theory E. Engel and R. M. Dreizler
- Exchange-correlation and QED effects from a density functional based level shift approach
- Random-phase-approximation-based correlation energy functionals: Benchmark results for atoms
- RELATIVISTIC DENSITY FUNCTIONAL THEORY: FOUNDATIONS AND BASIC FORMALISM
- IOP PUBLISHING JOURNAL OF PHYSICS B: ATOMIC, MOLECULAR AND OPTICAL PHYSICS J. Phys. B: At. Mol. Opt. Phys. 42 (2009) 095102 (7pp) doi:10.1088/0953-4075/42/9/095102
- IOP PUBLISHING JOURNAL OF PHYSICS: CONDENSED MATTER J. Phys.: Condens. Matter 21 (2009) 064208 (4pp) doi:10.1088/0953-8984/21/6/064208
- Exact exchange in relativistic spin-density-functional theory: Exchange splitting versus spin-orbit coupling
- Kohn-Sham perturbation theory: Simple solution to variational instability of second order correlation energy functional
- Facco Bonetti et al. Reply: In the following we address the arguments of Niquet, Fuchs, and Gonze (NFG) [1] in
- Relativistic spin-density-functional theory: Robust solution of single-particle equations for open-subshell atoms
- Relativistic extension of the Troullier-Martins scheme: Accurate pseudopotentials for transition-metal elements
- Total energy density as an interpretative tool Morrel H. Cohen
- Four-component relativistic density functional calculations of heavy diatomic molecules
- Relativistic optimized-potential method: Exact transverse exchange and Mo"ller-Plesset-based correlation potential
- J. Phys. B: At. Mol. Opt. Phys. 30 (1997) L703L708. Printed in the UK PII: S0953-4075(97)86235-9 LETTER TO THE EDITOR
- Foundations of Physics, Vot. 27, No. 9, 1997 Relativistic Models for Nuclear Structure Calculations
- ANNALS OF PHYSICS 213, 312-354 (1992) Density Functional Approach to Quantumhadrodynamics
- J. Phys. B: At. Mol. Opt. Phys. 22 (1989) 1901-1912. Printed in the UK Extension of the Thomas-Fermi-Dirac-Weizsacker model
- Orbital-Dependent Representation of the Correlation Energy Functional
- IMPLICIT DENSITY FUNCTIONALS FOR THE EXCHANGE-CORRELATION ENERGY: DESCRIPTION OF VAN
- RELATIVISTIC CORRECTIONS TO THE EXCHANGE-CORRELATION ENERGY FUNCTIONAL
- DENSITY FUNCTIONAL THEORY OF FIELD THEORETICAL SYSTEMS
- published in: Density Functional Theory
- Zeitschrift fr physikalische Chemie Orbital-dependent representation of correlation energy functional
- Accuracy of the Krieger-Li-Iafrate approximation for molecules E. Engel, A. Hock, and R. M. Dreizler
- May 28, 2001 9:44 WSPC/Guidelines ehsd01 NORMCONSERVING PSEUDOPOTENTIALS FOR THE
- Second-order Kohn-Sham perturbation theory: Correlation potential for atoms in a cavity
- DENSITY FUNCTIONAL APPROACH TO QHD REINER M. DREIZLER, EBERHARD ENGEL AND REINER N. SCHMID
- Z. Phys.D -Atoms, Moleculesand Clusters 23, 7-14 (1992) Atoms,Molecules
- Full potential linearized-augmented-plane-wave calculations for 5d transition metals using the
- Solubility of the optimized-potential-method integral equation for finite systems E. Engel and H. Jiang
- VOLUME 79, NUMBER 9 P H Y S I C A L R E V I E W L E T T E R S 1 SEPTEMBER 1997 Electronic Exchange Effects in p 1 Ne and p 1 Ar Collisions
- Systematic study of the Ib diatomic molecules Cu2 , Ag2, and Au2 using advanced relativistic density functionals
- IL NUOVO CIMENTO Vol. 110 A, N. 9-10 Settembre-Ottobre 1997 Pseudopotentials for Clusters( )
- Noncollinear and collinear relativistic density-functional program for electric and magnetic properties of molecules
- Insulating Ground States of Transition-Metal Monoxides from Exact Exchange E. Engel and R. N. Schmid*
