Recent Advances in Relativistic Molecular Theory - Recent Advances in Computational Chemistry
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Published By WORLD SCIENTIFIC

9789812387097, 9789812794901

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PROPHET4R: Four-component relativistic atomic and molecular program suite

Recent Advances in Relativistic Molecular Theory - Recent Advances in Computational Chemistry ◽

10.1142/9789812794901_0008 ◽

2004 ◽

pp. 247-255

Author(s):

O. MATSUOKA ◽

Y. WATANABE

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GENERALIZED-UHF THEORY FOR MAGNETIC PROPERTIES WITH QUASI-RELATIVISTIC HAMILTONIANS

Recent Advances in Relativistic Molecular Theory - Recent Advances in Computational Chemistry ◽

10.1142/9789812794901_0006 ◽

2004 ◽

pp. 191-220

Author(s):

Ryoichi Fukuda ◽

Masahiko Hada ◽

Hiroshi Nakatsuji

Keyword(s):

Magnetic Properties

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Recent Progress in Relativistic Electronic Structure Theory

Recent Advances in Relativistic Molecular Theory - Recent Advances in Computational Chemistry ◽

10.1142/9789812794901_0007 ◽

2004 ◽

pp. 221-246 ◽

Cited By ~ 3

Author(s):

Takeshi Yanai ◽

Takahito Nakajima ◽

Yasuyuki Ishikawa ◽

Kimihiko Hirao

Keyword(s):

Electronic Structure ◽

Recent Progress ◽

Electronic Structure Theory ◽

Structure Theory

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RELATIVISTIC DENSITY FUNCTIONAL THEORY: THE BDF PROGRAM PACKAGE

Recent Advances in Relativistic Molecular Theory - Recent Advances in Computational Chemistry ◽

10.1142/9789812794901_0009 ◽

2004 ◽

pp. 257-282 ◽

Cited By ~ 29

Author(s):

Wenjian Liu ◽

Fan Wang ◽

Lemin Li

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Program Package ◽

Functional Theory

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SPIN ORBIT COUPLING METHODS AND APPLICATIONS TO CHEMISTRY

Recent Advances in Relativistic Molecular Theory - Recent Advances in Computational Chemistry ◽

10.1142/9789812794901_0004 ◽

2004 ◽

pp. 107-136 ◽

Cited By ~ 15

Author(s):

D. G. Fedorov ◽

M. W. Schmidt ◽

S. Koseki ◽

M. S. Gordon

Keyword(s):

Orbit Coupling ◽

Spin Orbit Coupling ◽

Spin Orbit ◽

Coupling Methods

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RECENT DEVELOPMENTS OF RELATIVISTIC MODEL CORE POTENTIAL METHOD

Recent Advances in Relativistic Molecular Theory - Recent Advances in Computational Chemistry ◽

10.1142/9789812794901_0002 ◽

2004 ◽

pp. 37-64 ◽

Cited By ~ 4

Author(s):

E. MIYOSHI ◽

Y. SAKAI ◽

Y. OSANAI ◽

T. NORO

Keyword(s):

Potential Method ◽

Relativistic Model ◽

Core Potential ◽

Recent Developments

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TRANSGRESSING THEORY BOUNDARIES: THE GENERALIZED DOUGLAS–KROLL TRANSFORMATION

Recent Advances in Relativistic Molecular Theory - Recent Advances in Computational Chemistry ◽

10.1142/9789812794901_0005 ◽

2004 ◽

pp. 137-190 ◽

Cited By ~ 20

Author(s):

Alexander Wolf ◽

Markus Reiher ◽

Bernd Artur Hess

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THE RELATIVISTIC ENERGY-CONSISTENT AB INITIO PSEUDOPOTENTIAL APPROACH AND ITS APPLICATION TO LANTHANIDE AND ACTINIDE COMPOUNDS

Recent Advances in Relativistic Molecular Theory - Recent Advances in Computational Chemistry ◽

10.1142/9789812794901_0001 ◽

2004 ◽

pp. 1-35 ◽

Cited By ~ 13

Author(s):

Michael Dolg ◽

Xiaoyan Cao

Keyword(s):

Ab Initio ◽

Relativistic Energy ◽

Pseudopotential Approach

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SPIN–ORBIT MULTIREFERENCE CONFIGURATION INTERACTION METHOD AND APPLICATIONS TO SYSTEMS CONTAINING HEAVY ATOMS

Recent Advances in Relativistic Molecular Theory - Recent Advances in Computational Chemistry ◽

10.1142/9789812794901_0003 ◽

2004 ◽

pp. 65-105 ◽

Cited By ~ 22

Author(s):

Aleksey B. Alekseyev ◽

Heinz-Peter Liebermann ◽

Robert J. Buenker

Keyword(s):

Configuration Interaction ◽

Spin Orbit ◽

Interaction Method ◽

Configuration Interaction Method ◽

Heavy Atoms

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FRONT MATTER

Recent Advances in Relativistic Molecular Theory - Recent Advances in Computational Chemistry ◽

10.1142/9789812794901_fmatter ◽

2004 ◽

pp. i-xiv

Author(s):

Kimihiko Hirao ◽

Yasuyuki Ishikawa

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Recent Advances in Relativistic Molecular Theory - Recent Advances in Computational ChemistryLatest Publications

TOTAL DOCUMENTS

H-INDEX

Published By WORLD SCIENTIFIC

PROPHET4R: Four-component relativistic atomic and molecular program suite

GENERALIZED-UHF THEORY FOR MAGNETIC PROPERTIES WITH QUASI-RELATIVISTIC HAMILTONIANS

Recent Progress in Relativistic Electronic Structure Theory

RELATIVISTIC DENSITY FUNCTIONAL THEORY: THE BDF PROGRAM PACKAGE

SPIN ORBIT COUPLING METHODS AND APPLICATIONS TO CHEMISTRY

RECENT DEVELOPMENTS OF RELATIVISTIC MODEL CORE POTENTIAL METHOD

TRANSGRESSING THEORY BOUNDARIES: THE GENERALIZED DOUGLAS–KROLL TRANSFORMATION

THE RELATIVISTIC ENERGY-CONSISTENT AB INITIO PSEUDOPOTENTIAL APPROACH AND ITS APPLICATION TO LANTHANIDE AND ACTINIDE COMPOUNDS

SPIN–ORBIT MULTIREFERENCE CONFIGURATION INTERACTION METHOD AND APPLICATIONS TO SYSTEMS CONTAINING HEAVY ATOMS

FRONT MATTER

Recent Advances in Relativistic Molecular Theory - Recent Advances in Computational Chemistry
Latest Publications