New Trends in Quantum Systems in Chemistry and Physics - Progress in Theoretical Chemistry and Physics
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Published By Springer Netherlands

9780792367086, 9780306469510

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Comments on the Basis Sets used in Recent Studies of Electron Correlation in Small Molecules

New Trends in Quantum Systems in Chemistry and Physics - Progress in Theoretical Chemistry and Physics ◽

10.1007/0-306-46951-0_8 ◽

2001 ◽

pp. 115-132 ◽

Cited By ~ 1

Author(s):

S. Wilson ◽

D. Moncrieff ◽

J. Kobus

Keyword(s):

Small Molecules ◽

Electron Correlation ◽

Basis Sets

Staggering Effects in Nuclear and Molecular Spectra

New Trends in Quantum Systems in Chemistry and Physics - Progress in Theoretical Chemistry and Physics ◽

10.1007/0-306-46951-0_21 ◽

2001 ◽

pp. 393-416 ◽

Cited By ~ 2

Author(s):

Dennis Bonatsos ◽

N. Karoussos ◽

C. Daskaloyannis ◽

S. B. Drenska ◽

N. Minkov ◽

...

Keyword(s):

Molecular Spectra

Vibrational First Hyperpolarizability of Methane and its Fluorinated Analogs

New Trends in Quantum Systems in Chemistry and Physics - Progress in Theoretical Chemistry and Physics ◽

10.1007/0-306-46951-0_20 ◽

2001 ◽

pp. 375-392 ◽

Cited By ~ 1

Author(s):

Q. Quinet ◽

B. Champagne

Keyword(s):

First Hyperpolarizability ◽

Fluorinated Analogs

Relativistic Quantum Mechanics of Atoms and Molecules

New Trends in Quantum Systems in Chemistry and Physics - Progress in Theoretical Chemistry and Physics ◽

10.1007/0-306-46951-0_9 ◽

2001 ◽

pp. 135-173 ◽

Cited By ~ 4

Author(s):

H. M. Quiney

Keyword(s):

Quantum Mechanics ◽

Relativistic Quantum ◽

Relativistic Quantum Mechanics ◽

Atoms And Molecules

An Implementation of the Configuration-selecting Multi-reference Configuration-interaction Method on Massively Parallel Architectures

New Trends in Quantum Systems in Chemistry and Physics - Progress in Theoretical Chemistry and Physics ◽

10.1007/0-306-46951-0_7 ◽

2001 ◽

pp. 95-113

Author(s):

P. Stampfuss ◽

W. Wenzel

Keyword(s):

Configuration Interaction ◽

Parallel Architectures ◽

Massively Parallel ◽

Reference Configuration ◽

Interaction Method ◽

Configuration Interaction Method ◽

Massively Parallel Architectures

Variational Principle in the Dirac Theory: Spurious Solutions, Unexpected Extrema and Other Traps

New Trends in Quantum Systems in Chemistry and Physics - Progress in Theoretical Chemistry and Physics ◽

10.1007/0-306-46951-0_10 ◽

2001 ◽

pp. 175-190 ◽

Cited By ~ 4

Author(s):

Monika Stanke ◽

Jacek Karwowski

Keyword(s):

Variational Principle ◽

Dirac Theory ◽

Spurious Solutions

Theory of Exact Exchange Relations for a Single Excited State

New Trends in Quantum Systems in Chemistry and Physics - Progress in Theoretical Chemistry and Physics ◽

10.1007/0-306-46951-0_2 ◽

2001 ◽

pp. 13-24

Author(s):

Á. Nagy

Keyword(s):

Excited State ◽

Exact Exchange ◽

Exchange Relations

Relativistic Quantum Chemistry of Superheavy Transactinide Elements

New Trends in Quantum Systems in Chemistry and Physics - Progress in Theoretical Chemistry and Physics ◽

10.1007/0-306-46951-0_13 ◽

2001 ◽

pp. 243-255 ◽

Cited By ~ 3

Author(s):

Gulzari L. Malli

Keyword(s):

Quantum Chemistry ◽

Relativistic Quantum ◽

Relativistic Quantum Chemistry

Large Amplitude Motions in Electronically Excited States: A Study of the S1 Excited State of Formic Acid

New Trends in Quantum Systems in Chemistry and Physics - Progress in Theoretical Chemistry and Physics ◽

10.1007/0-306-46951-0_18 ◽

2001 ◽

pp. 347-358

Author(s):

Leanne M. Beaty-Travis ◽

David C. Moule ◽

Camelia Munoz-Caro ◽

Alfonso Nino

Keyword(s):

Excited State ◽

Formic Acid ◽

Excited States ◽

Large Amplitude ◽

Electronically Excited States ◽

Large Amplitude Motions ◽

Electronically Excited

The Nature of Binding in HRgY Compounds (Rg = Ar, Kr, Xe; Y = F, Cl) Based on the Topological Analysis of the Electron Localisation Function (ELF)

New Trends in Quantum Systems in Chemistry and Physics - Progress in Theoretical Chemistry and Physics ◽

10.1007/0-306-46951-0_14 ◽

2001 ◽

pp. 259-279 ◽

Cited By ~ 5

Author(s):

S. Berski ◽

B. Silvi ◽

J. Lundell ◽

S. Noury ◽

Z. Latajka

Keyword(s):

Topological Analysis

New Trends in Quantum Systems in Chemistry and Physics - Progress in Theoretical Chemistry and PhysicsLatest Publications

TOTAL DOCUMENTS

H-INDEX

Published By Springer Netherlands

Comments on the Basis Sets used in Recent Studies of Electron Correlation in Small Molecules

Staggering Effects in Nuclear and Molecular Spectra

Vibrational First Hyperpolarizability of Methane and its Fluorinated Analogs

Relativistic Quantum Mechanics of Atoms and Molecules

An Implementation of the Configuration-selecting Multi-reference Configuration-interaction Method on Massively Parallel Architectures

Variational Principle in the Dirac Theory: Spurious Solutions, Unexpected Extrema and Other Traps

Theory of Exact Exchange Relations for a Single Excited State

Relativistic Quantum Chemistry of Superheavy Transactinide Elements

Large Amplitude Motions in Electronically Excited States: A Study of the S1 Excited State of Formic Acid

The Nature of Binding in HRgY Compounds (Rg = Ar, Kr, Xe; Y = F, Cl) Based on the Topological Analysis of the Electron Localisation Function (ELF)

New Trends in Quantum Systems in Chemistry and Physics - Progress in Theoretical Chemistry and Physics
Latest Publications