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Explicitly Correlated Wave Functions in Chemistry and Physics: Theory and Applications Book

Explicitly Correlated Wave Functions in Chemistry and Physics: Theory and Applications
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  • Explicitly Correlated Wave Functions in Chemistry and Physics: Theory and Applications
  • Written by author Jacek Rychlewski
  • Published by Springer-Verlag New York, LLC, November 2003
  • Rychlewski (Adam Mickiewicz University, Poland) collects material on the theory of explicitly correlated (EC) wave functions and applications in chemistry and molecular and atomic physics. The book begins with a chapter on the theory of electron correlati
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Book Categories

Authors

Contributing Authors
Introduction
1Theory of electron correlation3
2Explicitly correlated functions in variational calculations91
3Linear R12 terms in coupled cluster theory149
4Gaussian geminals in coupled cluster and many-body perturbation theories185
5Adiabatic calculations using explicitly correlated wave functions249
6Direct perturbation theory of relativistic effects275
7Hylleraas-CI approach to Dirac-Coulomb equation331
8Relativistic calculations using explicitly correlated Gaussian functions347
9Atomic and molecular properties using explicitly correlated functions373
10Quantum chemical calculations on positronic systems439
11Resonance states of atoms465
12Quantum nuclear dynamics of the H[subscript 3][superscript +]-system and its isotopomers503
Index555


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