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Advanced Structural Inorganic Chemistry

Wai-Kee Li, Gong-Du Zhou, and Thomas Mak

Published in print:
2008
Published Online:
May 2008
ISBN:
9780199216949
eISBN:
9780191711992
Item type:
book
Publisher:
Oxford University Press
DOI:
10.1093/acprof:oso/9780199216949.001.0001
Subject:
Physics, Crystallography

This text is an updated English version of a class-tested textbook originally published in Chinese in 2006. Its contents are based on the lecture notes of several courses taught by the authors at The ... More


Molecular Electromagnetism: A Computational Chemistry Approach

Stephan P. A. Sauer

Published in print:
2011
Published Online:
December 2013
ISBN:
9780199575398
eISBN:
9780191775109
Item type:
book
Publisher:
Oxford University Press
DOI:
10.1093/acprof:oso/9780199575398.001.0001
Subject:
Physics, Atomic, Laser, and Optical Physics

This book is concerned with molecular electromagnetic properties and the interaction of molecules with static electric and magnetic fields as well as with the time-dependent fields of electromagnetic ... More


Approximations to Exact Perturbation and Response Theory Expressions

Stephan P. A. Sauer

in Molecular Electromagnetism: A Computational Chemistry Approach

Published in print:
2011
Published Online:
December 2013
ISBN:
9780199575398
eISBN:
9780191775109
Item type:
chapter
Publisher:
Oxford University Press
DOI:
10.1093/acprof:oso/9780199575398.003.0010
Subject:
Physics, Atomic, Laser, and Optical Physics

This chapter derives computational chemistry methods for calculating molecular properties. It approximates the exact unperturbed wavefunctions and the complete set of operators in the expression for ... More


Derivative Methods

Stephan P. A. Sauer

in Molecular Electromagnetism: A Computational Chemistry Approach

Published in print:
2011
Published Online:
December 2013
ISBN:
9780199575398
eISBN:
9780191775109
Item type:
chapter
Publisher:
Oxford University Press
DOI:
10.1093/acprof:oso/9780199575398.003.0012
Subject:
Physics, Atomic, Laser, and Optical Physics

This chapter presents computational chemistry methods derived by taking derivatives of the approximate expressions for the energy of a molecule in the presence of electric or magnetic fields. It ... More


Perturbation and Response Theory with Approximate Wavefunctions

Stephan P. A. Sauer

in Molecular Electromagnetism: A Computational Chemistry Approach

Published in print:
2011
Published Online:
December 2013
ISBN:
9780199575398
eISBN:
9780191775109
Item type:
chapter
Publisher:
Oxford University Press
DOI:
10.1093/acprof:oso/9780199575398.003.0011
Subject:
Physics, Atomic, Laser, and Optical Physics

This chapter derives computational chemistry methods for calculating molecular properties by applying time-independent and time-dependent perturbation or response theory, with and without using the ... More


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