Lecture Notes in Chemistry - Mathematical Models and Methods for Ab Initio Quantum Chemistry
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Published By Springer Berlin Heidelberg

9783540676317, 9783642572371

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Examples of hidden numerical tricks in a solid state determination of electronic structure.

Lecture Notes in Chemistry - Mathematical Models and Methods for Ab Initio Quantum Chemistry ◽

10.1007/978-3-642-57237-1_8 ◽

2000 ◽

pp. 159-169

Author(s):

Mireille Defranceschi ◽

Vanina Louis-Achille

Keyword(s):

Electronic Structure ◽

Solid State ◽

State Determination

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A pedagogical introduction to Quantum Monte-Carlo

Lecture Notes in Chemistry - Mathematical Models and Methods for Ab Initio Quantum Chemistry ◽

10.1007/978-3-642-57237-1_3 ◽

2000 ◽

pp. 45-73 ◽

Cited By ~ 1

Author(s):

Michel Caffarel ◽

Roland Assaraf

Keyword(s):

Monte Carlo ◽

Quantum Monte Carlo

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Is a molecule in chemistry explicable as a broken symmetry in quantum mechanics?

Lecture Notes in Chemistry - Mathematical Models and Methods for Ab Initio Quantum Chemistry ◽

10.1007/978-3-642-57237-1_1 ◽

2000 ◽

pp. 3-15 ◽

Cited By ~ 2

Author(s):

Brian Sutcliffe

Keyword(s):

Quantum Mechanics ◽

Broken Symmetry

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SCF algorithms for HF electronic calculations

Lecture Notes in Chemistry - Mathematical Models and Methods for Ab Initio Quantum Chemistry ◽

10.1007/978-3-642-57237-1_2 ◽

2000 ◽

pp. 17-43 ◽

Cited By ~ 11

Author(s):

Eric Cancès

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Local density approximations for the energy of a periodic Coulomb model

Lecture Notes in Chemistry - Mathematical Models and Methods for Ab Initio Quantum Chemistry ◽

10.1007/978-3-642-57237-1_6 ◽

2000 ◽

pp. 121-131 ◽

Cited By ~ 2

Author(s):

O. Bokanowski ◽

B. Grébert ◽

N. J. Mauser

Keyword(s):

Local Density ◽

Coulomb Model ◽

Local Density Approximations

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Variational methods in relativistic quantum mechanics: new approach to the computation of Dirac eigenvalues

Lecture Notes in Chemistry - Mathematical Models and Methods for Ab Initio Quantum Chemistry ◽

10.1007/978-3-642-57237-1_10 ◽

2000 ◽

pp. 211-226 ◽

Cited By ~ 2

Author(s):

Jean Dolbeault ◽

Maria J. Esteban ◽

Eric Séré

Keyword(s):

Quantum Mechanics ◽

Variational Methods ◽

Relativistic Quantum ◽

Relativistic Quantum Mechanics ◽

New Approach

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Quantum mechanical models for systems in solution

Lecture Notes in Chemistry - Mathematical Models and Methods for Ab Initio Quantum Chemistry ◽

10.1007/978-3-642-57237-1_9 ◽

2000 ◽

pp. 171-208

Author(s):

Benedetta Mennucci

Keyword(s):

Quantum Mechanical ◽

Mechanical Models

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On the controllability of bilinear quantum systems

Lecture Notes in Chemistry - Mathematical Models and Methods for Ab Initio Quantum Chemistry ◽

10.1007/978-3-642-57237-1_4 ◽

2000 ◽

pp. 75-92 ◽

Cited By ~ 28

Author(s):

Gabriel Turinici

Keyword(s):

Quantum Systems

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Recent mathematical results on the quantum modeling of crystals

Lecture Notes in Chemistry - Mathematical Models and Methods for Ab Initio Quantum Chemistry ◽

10.1007/978-3-642-57237-1_5 ◽

2000 ◽

pp. 95-119

Author(s):

I. Catto ◽

P.-L. Lions ◽

C. Le Bris

Keyword(s):

Quantum Modeling

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Quaternion symmetry of the Dirac equation

Lecture Notes in Chemistry - Mathematical Models and Methods for Ab Initio Quantum Chemistry ◽

10.1007/978-3-642-57237-1_11 ◽

2000 ◽

pp. 227-246 ◽

Cited By ~ 2

Author(s):

T. Saue ◽

H. J. Aa. Jensen

Keyword(s):

Dirac Equation

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Lecture Notes in Chemistry - Mathematical Models and Methods for Ab Initio Quantum ChemistryLatest Publications

TOTAL DOCUMENTS

H-INDEX

Published By Springer Berlin Heidelberg

Examples of hidden numerical tricks in a solid state determination of electronic structure.

A pedagogical introduction to Quantum Monte-Carlo

Is a molecule in chemistry explicable as a broken symmetry in quantum mechanics?

SCF algorithms for HF electronic calculations

Local density approximations for the energy of a periodic Coulomb model

Variational methods in relativistic quantum mechanics: new approach to the computation of Dirac eigenvalues

Quantum mechanical models for systems in solution

On the controllability of bilinear quantum systems

Recent mathematical results on the quantum modeling of crystals

Quaternion symmetry of the Dirac equation

Lecture Notes in Chemistry - Mathematical Models and Methods for Ab Initio Quantum Chemistry
Latest Publications