國立高雄大學圖資館 |

Language: English

Back

Multiconfigurational quantum chemistry

Lindh, Roland, (1958-)

Multiconfigurational quantum chemistry

Record Type:	Electronic resources : Monograph/item
Title/Author:	Multiconfigurational quantum chemistryProf. Bjorn Olof Roos, Roland Lindh, Per Åke Malmqvist, Valera Veryazov and Per-Olof Widmark.
Author:	Roos, B. O.
other author:	Lindh, Roland,
Published:	Hoboken, New Jersey :Wiley,2016.
Description:	1 online resource.
Subject:	Quantum chemistryCongresses.
Online resource:	http://onlinelibrary.wiley.com/book/10.1002/9781119126171
ISBN:	9781119126171 (electronic bk.)

Multiconfigurational quantum chemistry
Roos, B. O.

Multiconfigurational quantum chemistry[electronic resource] /Prof. Bjorn Olof Roos, Roland Lindh, Per Åke Malmqvist, Valera Veryazov and Per-Olof Widmark. - Hoboken, New Jersey :Wiley,2016. - 1 online resource.

Includes bibliographical references and index.

Mathematical background -- Molecular orbital theory -- Hartree-Fock theory -- Relativistic effects -- Basis sets -- Second quantization and multiconfigurational wave functions -- Electron correlation -- Multiconfigurational SCF theory -- The RAS State-Interaction method -- The multireference CI method -- Multi-configurational reference perturbation theory -- CASPT2/CASSCF applications.

ISBN: 9781119126171 (electronic bk.)

LCCN: 2016015079Subjects--Topical Terms:

444671
Quantum chemistry
--Congresses.Index Terms--Genre/Form:

214472
Electronic books.

LC Class. No.: QD462 / 2016

Dewey Class. No.: 541/.28

Multiconfigurational quantum chemistry
LDR:01435cmm a2200289 a 4500 001 513299
006 m o d
007 cr |||||||||||
008 180111s2016 nju ob 001 0 eng
010 $a 2016015079
020 $a 9781119126171 (electronic bk.)
020 $a 1119126177 (electronic bk.)
020 $a 9781119277873 (electronic bk.)
020 $a 1119277876 (electronic bk.)
020 $a 9781119277880 (electronic bk.)
020 $a 1119277884 (electronic bk.)
020 $a 9780470633465 (cloth)
035 $a Wly17000253
040 $a DLC $b eng $e rda $c DLC $d OCLCF $d YDX $d N $d DG1
041 0 $a eng
050 4 $a QD462 $b 2016
082 0 0 $a 541/.28 $2 23
100 1 $a Roos, B. O. $q (Björn O.), $e author. $3 781916
245 1 0 $a Multiconfigurational quantum chemistry $h [electronic resource] / $c Prof. Bjorn Olof Roos, Roland Lindh, Per Åke Malmqvist, Valera Veryazov and Per-Olof Widmark.
260 $a Hoboken, New Jersey : $b Wiley, $c 2016.
300 $a 1 online resource.
504 $a Includes bibliographical references and index.
505 0 $a Mathematical background -- Molecular orbital theory -- Hartree-Fock theory -- Relativistic effects -- Basis sets -- Second quantization and multiconfigurational wave functions -- Electron correlation -- Multiconfigurational SCF theory -- The RAS State-Interaction method -- The multireference CI method -- Multi-configurational reference perturbation theory -- CASPT2/CASSCF applications.
650 0 $a Quantum chemistry $v Congresses. $3 444671
655 4 $a Electronic books. $2 local. $3 214472
700 1 $a Lindh, Roland, $d 1958- $e author. $3 781917
700 1 $a Malmqvist, Per Åke, $d 1963- $e author. $3 781918
700 1 $a Veryazov, Valera, $d 1963- $e author. $3 781919
700 1 $a Widmark, Per-Olof, $d 1956- $e author. $3 781920
856 4 0 $u http://onlinelibrary.wiley.com/book/10.1002/9781119126171