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Record Nr. |
UNINA9910830369303321 |
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Titolo |
Ab initio methods in quantum chemistry . Part I [[electronic resource] /] / edited by K.P Lawley |
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Pubbl/distr/stampa |
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Chichester [West Sussex] ; ; New York, : Wiley, c1987 |
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ISBN |
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1-282-34722-5 |
9786612347221 |
0-470-14293-6 |
0-470-14337-1 |
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Descrizione fisica |
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1 online resource (568 p.) |
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Collana |
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Advances in chemical physics ; ; 67 |
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Altri autori (Persone) |
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Disciplina |
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541.2/8 |
541.28 |
541.305 |
541/.08 |
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Soggetti |
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Quantum chemistry |
Quantum theory |
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Lingua di pubblicazione |
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Formato |
Materiale a stampa |
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Livello bibliografico |
Monografia |
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Note generali |
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Description based upon print version of record. |
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Nota di bibliografia |
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Includes bibliographies and indexes. |
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Nota di contenuto |
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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 |
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Sommario/riassunto |
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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 Physics series serves as the perfect supplement to any advanced graduate class devoted to the study of chemical physics. |
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