INTERNATIONAL STANDARD BOOK NUMBER
(Number (ISBN
9780849384066 (alk. paper)
NATIONAL BIBLIOGRAPHY NUMBER
Country Code
IR
Number
EN-51045
LANGUAGE OF THE ITEM
.Language of Text, Soundtrack etc
انگلیسی
COUNTRY OF PUBLICATION OR PRODUCTlON
Country of publication
IR
TITLE AND STATEMENT OF RESPONSIBILITY
Title Proper
Electronic structure modeling
General Material Designation
[Book]
Other Title Information
:connections between theory and software
First Statement of Responsibility
/ Carl Trindle, Donald Shillady
.PUBLICATION, DISTRIBUTION, ETC
Place of Publication, Distribution, etc.
Boca Raton, FL
Name of Publisher, Distributor, etc.
: CRC Press,
Date of Publication, Distribution, etc.
, c2008.
PHYSICAL DESCRIPTION
Specific Material Designation and Extent of Item
xviii, 484 p. , ill. , 25 cm. +, 1 CD-ROM (4 3/4 in.)
NOTES PERTAINING TO PUBLICATION, DISTRIBUTION, ETC.
Text of Note
Electronic
INTERNAL BIBLIOGRAPHIES/INDEXES NOTE
Text of Note
Includes bibliographical references and index.
CONTENTS NOTE
Text of Note
One-dimensional quantum mechanics: a short review -- Matrices, representations, and electronic structure modeling -- Methods of approximation and the SCF method -- Gaussian-lobe basis sets -- A very simple MO program -- Geometry optimization and vibrational frequencies by SCF -- Configuration interaction and potential curves -- Perturbation theory -- Highly accurate methods: coupled cluster calculations, extrapolation to chemical accuracy, and quantum Monte Carlo methods -- Modeling the Coulomb hole -- Density functional theory -- Calculation of nuclear magnetic resonance shielding/shifts -- The representation of electronically excited states -- Circular dichroism and optical rotatory dispersion.
TOPICAL NAME USED AS SUBJECT
Electronic structure, Mathematical models
LIBRARY OF CONGRESS CLASSIFICATION
Class number
E-BOOK
PERSONAL NAME - PRIMARY RESPONSIBILITY
Trindle, Carl.
PERSONAL NAME - SECONDARY RESPONSIBILITY
Shillady, Donald
ORIGINATING SOURCE
Country
ایران
ELECTRONIC LOCATION AND ACCESS
Host name
9780849384066.pdf
Access number
عادی
Compression information
عادی
Date and Hour of Consultation and Access
9780849384066.pdf
Electronic Format Type
متن
old catalog
e
BL
1
a
Y
