Molecular electromagnetism : a computational chemistry approach / Stephan P.A. Sauer.

By:

Sauer, Stephan P. A [author.]

Material type: Text

text

Media type:

computer

Carrier type:

online resource

ISBN:

9780191621390
0191621390
1283348640
9781283348645
9786613348647
6613348643
0191621005
9780191621000

Subject(s):

Additional physical formats: Print version:: Molecular electromagnetism.DDC classification:

539.6 22

LOC classification:

QC760 .S28 2011eb

Online resources:

EBSCOhost

Contents:

Part I. Quantum mechanical fundamentals -- Part II. Definition of properties -- Part III. Computational methods for the calculation of molecular properties -- Part IV. Appendices.

Summary: "This is a textbook on the theory and calculation of molecular electromagnetic and spectroscopic properties designed for a one-semester course with lectures and exercise classes. The idea of the book is to provide thorough background knowledge for the calculation of electromagnetic and spectroscopic properties of molecules with modern quantum chemical software packages. The book covers the derivation of the molecular Hamiltonian in the presence of electromagnetic fields, and of time-independent and time-dependent perturbation theory in the form of response theory. It defines many molecular properties and spectral parameters and gives an introduction to modern computational chemistry methods"--Provided by publisher.

Holdings ( 1 )
Title notes ( 6 )

Holdings
Item type	Current library	Collection	Call number	Status	Date due	Barcode	Item holds
eBook	e-Library	EBSCO Science		Available

Total holds: 0

Includes bibliographical references (pages 282-296) and index.

Part I. Quantum mechanical fundamentals -- Part II. Definition of properties -- Part III. Computational methods for the calculation of molecular properties -- Part IV. Appendices.

"This is a textbook on the theory and calculation of molecular electromagnetic and spectroscopic properties designed for a one-semester course with lectures and exercise classes. The idea of the book is to provide thorough background knowledge for the calculation of electromagnetic and spectroscopic properties of molecules with modern quantum chemical software packages. The book covers the derivation of the molecular Hamiltonian in the presence of electromagnetic fields, and of time-independent and time-dependent perturbation theory in the form of response theory. It defines many molecular properties and spectral parameters and gives an introduction to modern computational chemistry methods"--Provided by publisher.

Print version record.

English.

Added to collection customer.56279.3