|
|
|
|
|
|
|
|
2. |
Record Nr. |
UNINA9910144254503321 |
|
|
Titolo |
Ab initio methods in quantum chemistry . Part I [[electronic resource] /] / edited by K.P Lawley |
|
|
|
|
|
|
|
Pubbl/distr/stampa |
|
|
Chichester [West Sussex] ; ; New York, : Wiley, c1987 |
|
|
|
|
|
|
|
ISBN |
|
1-282-34722-5 |
9786612347221 |
0-470-14293-6 |
0-470-14337-1 |
|
|
|
|
|
|
|
|
Descrizione fisica |
|
1 online resource (568 p.) |
|
|
|
|
|
|
Collana |
|
Advances in chemical physics ; ; 67 |
|
|
|
|
|
|
Altri autori (Persone) |
|
|
|
|
|
|
Disciplina |
|
541.2/8 |
541.28 |
541.305 |
541/.08 |
|
|
|
|
|
|
|
|
Soggetti |
|
Quantum chemistry |
Quantum theory |
Electronic books. |
|
|
|
|
|
|
|
|
Lingua di pubblicazione |
|
|
|
|
|
|
Formato |
Materiale a stampa |
|
|
|
|
|
Livello bibliografico |
Monografia |
|
|
|
|
|
Note generali |
|
Description based upon print version of record. |
|
|
|
|
|
|
Nota di bibliografia |
|
Includes bibliographies and indexes. |
|
|
|
|
|
|
Nota di contenuto |
|
AB INITIO METHODS IN QUANTUM CHEMISTRY-Part I; CONTENTS; EXCITED-STATE POTENTIALS; MOLECULAR PROPERTY DERIVATIVES; TRANSITION STRUCTURE COMPUTATIONS AND THEIR ANALYSIS; OPTIMIZATION OF EQUILIBRIUM GEOMETRIES AND TRANSITION STRUCTURES; RELATIVISTIC QUANTUM CHEMISTRY; EFFECTIVE HAMILTONIANS AND PSEUDO-OPERATORS AS TOOLS FOR RIGOROUS MODELLING; MOLECULAR CALCULATIONS WITH THE DENSITY FUNCTIONAL FORMALISM; BASIS SETS; THE COUPLED PAIR .APPROXIMATION; AUTHOR INDEX; SUBJECT INDEX |
|
|
|
|
|
|
|
|
Sommario/riassunto |
|
The Advances in Chemical Physics series provides the chemical physics and physical chemistry fields with a forum for critical, authoritative evaluations of advances in every area of the discipline. Filled with cutting-edge research reported in a cohesive manner not found elsewhere in the literature, each volume of the Advances in Chemical |
|
|
|
|