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Explicitly Correlated Wave Functions in Chemistry and Physics J. Rychlewski

Explicitly Correlated Wave Functions in Chemistry and Physics By J. Rychlewski

Explicitly Correlated Wave Functions in Chemistry and Physics by J. Rychlewski


$39.99
Condition - Very Good
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Summary

Explicitly Correlated Wave Functions in Chemistry and Physics is the first book devoted entirely to explicitly correlated wave functions and their theory and applications in chemistry and molecular and atomic physics. Explicitly correlated wave functions are functions that depend explicitly on interelectronic distance.

Explicitly Correlated Wave Functions in Chemistry and Physics Summary

Explicitly Correlated Wave Functions in Chemistry and Physics: Theory and Applications by J. Rychlewski

Explicitly Correlated Wave Functions in Chemistry and Physics is the first book devoted entirely to explicitly correlated wave functions and their theory and applications in chemistry and molecular and atomic physics. Explicitly correlated wave functions are functions that depend explicitly on interelectronic distance.
The book covers a wide range of methods based on explicitly correlated functions written by leaders in the field, including Kutzelnigg, Jeziorski, Szalewicz, Klopper and Noga. The book begins with a chapter on the theory of electron correlation and then the following three chapters describe different types of functions that can be used to solve the electronic Schroedinger equation for atoms and molecules. The book goes on to discuss the effects that go beyond the Born-Oppenheimer approximation, theory of relativistic effects, solution of the Dirac-Colomb equation, and relativistic correction using ECG functions. The last part of the book reviews applications of EC functions to calculate atomic and molecular properties and to study positronic systems, resonance states of atoms and nuclear dynamics of the hydrogen molecular ion.

Table of Contents

1 Theory of electron correlation.- 2 Explicitly correlated functions in variational calculations.- 3 Linear R12 terms in coupled cluster theory.- 4 Gaussian geminals in coupled cluster and many-body perturbation theories.- 5 Adiabatic calculations using explicitly correlated wave functions.- 6 Direct perturbation theory of relativistic effects.- 7 Hylleraas-CI approach to Dirac-Coulomb equation.- 8 Relativistic calculations using explicitly correlated Gaussian functions.- 9 Atomic and molecular properties using explicitly correlated functions.- 10 Quantum chemical calculations on positronic systems.- 11 Resonance states of atoms.- 12 Quantum nuclear dynamics of the H3+ -system and its isotopomers.

Additional information

GOR006980312
9781402016745
1402016743
Explicitly Correlated Wave Functions in Chemistry and Physics: Theory and Applications by J. Rychlewski
Used - Very Good
Paperback
Springer-Verlag New York Inc.
2003-11-30
557
N/A
Book picture is for illustrative purposes only, actual binding, cover or edition may vary.
This is a used book - there is no escaping the fact it has been read by someone else and it will show signs of wear and previous use. Overall we expect it to be in very good condition, but if you are not entirely satisfied please get in touch with us

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