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Ab initio methods in quantum chemistry . II [[electronic resource] /] / edited by K.P Lawley
| Ab initio methods in quantum chemistry . II [[electronic resource] /] / edited by K.P Lawley |
| Pubbl/distr/stampa | Chichester [West Sussex] ; ; New York, : Wiley, c1987 |
| Descrizione fisica | 1 online resource (600 p.) |
| Disciplina |
541.2/8
541.28 541.305 541/.08 |
| Altri autori (Persone) | LawleyK. P |
| Collana | Advances in chemical physics |
| Soggetto topico |
Quantum chemistry
Quantum theory |
| Soggetto genere / forma | Electronic books. |
| ISBN |
1-282-34723-3
9786612347238 0-470-14294-4 0-470-14338-X |
| Formato | Materiale a stampa  |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
AB INITIO METHODS IN QUANTUM CHEMISTRY -II; CONTENTS; MATRIX-FORMULATED DIRECT MULTICONFIGURATION SELF-CONSISTENT FIELD AND MULTICONFIGURATION REFERENCE CONFIGURATION-INTERACTION; THE MULTICONFIGURATION SELF-CONSISTENT FIELD METHOD; PROPAGATOR METHODS; ANALYTICAL DERIVATIVE METHODS IN QUANTUM CHEMISTRY; SYMMETRY AND DEGENERACY IN Xa AND DENSITY FUNCTIONAL THEORY; MODERN VALENCE BOND THEORY; THE COMPLETE ACTIVE SPACE SELF-CONSISTENT FIELD METHOD AND ITS APPLICATIONS IN ELECTRONIC STRUCTURE CALCULATIONS; TRANSITION-METAL ATOMS AND DIMERS; WEAKLY BONDED SYSTEMS; AUTHOR INDEX; COMPOUND INDEX
SUBJECT INDEX |
| Record Nr. | UNINA-9910144254203321 |
| Chichester [West Sussex] ; ; New York, : Wiley, c1987 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Ab initio methods in quantum chemistry . Part I [[electronic resource] /] / edited by K.P Lawley
| 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 |
| Descrizione fisica | 1 online resource (568 p.) |
| Disciplina |
541.2/8
541.28 541.305 541/.08 |
| Altri autori (Persone) | LawleyK. P |
| Collana | Advances in chemical physics |
| Soggetto topico |
Quantum chemistry
Quantum theory |
| Soggetto genere / forma | Electronic books. |
| ISBN |
1-282-34722-5
9786612347221 0-470-14293-6 0-470-14337-1 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| 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 |
| Record Nr. | UNINA-9910144254503321 |
| Chichester [West Sussex] ; ; New York, : Wiley, c1987 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Ab initio methods in quantum chemistry . II [[electronic resource] /] / edited by K.P Lawley
| Ab initio methods in quantum chemistry . II [[electronic resource] /] / edited by K.P Lawley |
| Pubbl/distr/stampa | Chichester [West Sussex] ; ; New York, : Wiley, c1987 |
| Descrizione fisica | 1 online resource (600 p.) |
| Disciplina |
541.2/8
541.28 541.305 541/.08 |
| Altri autori (Persone) | LawleyK. P |
| Collana | Advances in chemical physics |
| Soggetto topico |
Quantum chemistry
Quantum theory |
| ISBN |
1-282-34723-3
9786612347238 0-470-14294-4 0-470-14338-X |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
AB INITIO METHODS IN QUANTUM CHEMISTRY -II; CONTENTS; MATRIX-FORMULATED DIRECT MULTICONFIGURATION SELF-CONSISTENT FIELD AND MULTICONFIGURATION REFERENCE CONFIGURATION-INTERACTION; THE MULTICONFIGURATION SELF-CONSISTENT FIELD METHOD; PROPAGATOR METHODS; ANALYTICAL DERIVATIVE METHODS IN QUANTUM CHEMISTRY; SYMMETRY AND DEGENERACY IN Xa AND DENSITY FUNCTIONAL THEORY; MODERN VALENCE BOND THEORY; THE COMPLETE ACTIVE SPACE SELF-CONSISTENT FIELD METHOD AND ITS APPLICATIONS IN ELECTRONIC STRUCTURE CALCULATIONS; TRANSITION-METAL ATOMS AND DIMERS; WEAKLY BONDED SYSTEMS; AUTHOR INDEX; COMPOUND INDEX
SUBJECT INDEX |
| Record Nr. | UNINA-9910831086603321 |
| Chichester [West Sussex] ; ; New York, : Wiley, c1987 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Ab initio methods in quantum chemistry . Part I [[electronic resource] /] / edited by K.P Lawley
| 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 |
| Descrizione fisica | 1 online resource (568 p.) |
| Disciplina |
541.2/8
541.28 541.305 541/.08 |
| Altri autori (Persone) | LawleyK. P |
| Collana | Advances in chemical physics |
| Soggetto topico |
Quantum chemistry
Quantum theory |
| ISBN |
1-282-34722-5
9786612347221 0-470-14293-6 0-470-14337-1 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| 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 |
| Record Nr. | UNINA-9910830369303321 |
| Chichester [West Sussex] ; ; New York, : Wiley, c1987 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Ab initio methods in quantum chemistry . Part I [[electronic resource] /] / edited by K.P Lawley
| 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 |
| Descrizione fisica | 1 online resource (568 p.) |
| Disciplina |
541.2/8
541.28 541.305 541/.08 |
| Altri autori (Persone) | LawleyK. P |
| Collana | Advances in chemical physics |
| Soggetto topico |
Quantum chemistry
Quantum theory |
| ISBN |
1-282-34722-5
9786612347221 0-470-14293-6 0-470-14337-1 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| 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 |
| Record Nr. | UNINA-9910840753203321 |
| Chichester [West Sussex] ; ; New York, : Wiley, c1987 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Modern quantum chemistry : introduction to advanced electronic structure theory / Attila Szabo, Neil S. Ostlund
| Modern quantum chemistry : introduction to advanced electronic structure theory / Attila Szabo, Neil S. Ostlund |
| Autore | Szabo, Attila |
| Pubbl/distr/stampa | Mineola, N.Y. : Dover, 1996 |
| Descrizione fisica | xiv, 466 p. : ill. ; 22 cm |
| Disciplina | 541.2/8 |
| Altri autori (Persone) | Ostlund, Neil S. |
| Soggetto topico | Quantum chemistry |
| ISBN | 0486691861 (pbk.) |
| Classificazione |
LC QD462
53.9.2 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNISALENTO-991002437009707536 |
Szabo, Attila
|
||
| Mineola, N.Y. : Dover, 1996 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. del Salento | ||
| ||
Principles of quantum mechanics as applied to chemistry and chemical physics / / Donald D. Fitts [[electronic resource]]
| Principles of quantum mechanics as applied to chemistry and chemical physics / / Donald D. Fitts [[electronic resource]] |
| Autore | Fitts Donald D. <1932-> |
| Pubbl/distr/stampa | Cambridge : , : Cambridge University Press, , 1999 |
| Descrizione fisica | 1 online resource (ix, 351 pages) : digital, PDF file(s) |
| Disciplina | 541.2/8 |
| Soggetto topico | Quantum chemistry |
| ISBN |
0-511-00763-9
0-511-81354-6 0-511-14905-0 0-511-05224-3 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
Cover; Half-title; Title; Copyright; Contents; Preface; 1 The wave function; 2 Schrödinger wave mechanics; 3 General principles of quantum theory; 4 Harmonic oscillator; 5 Angular momentum; 6 The hydrogen atom; 7 Spin; 8 Systems of identical particles; 9 Approximation methods; 10 Molecular structure; Appendix A Mathematical formulas; Appendix B Fourier series and Fourier integral; Appendix C Dirac delta function; Appendix D Hermite polynomials; Appendix E Legendre and associated Legendre polynomials; Appendix F Laguerre and associated Laguerre polynomials
Appendix G Series solutions of differential equationsAppendix H Recurrence relation for hydrogen-atom expectation values; Appendix I Matrices; Appendix J Evaluation of the two-electron interaction integral; Selected bibliography; Index |
| Record Nr. | UNINA-9910454673903321 |
|
Fitts Donald D. <1932->
|
||
| Cambridge : , : Cambridge University Press, , 1999 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Principles of quantum mechanics as applied to chemistry and chemical physics / / Donald D. Fitts [[electronic resource]]
| Principles of quantum mechanics as applied to chemistry and chemical physics / / Donald D. Fitts [[electronic resource]] |
| Autore | Fitts Donald D. <1932-> |
| Pubbl/distr/stampa | Cambridge : , : Cambridge University Press, , 1999 |
| Descrizione fisica | 1 online resource (ix, 351 pages) : digital, PDF file(s) |
| Disciplina | 541.2/8 |
| Soggetto topico | Quantum chemistry |
| ISBN |
0-511-00763-9
0-511-81354-6 0-511-14905-0 0-511-05224-3 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
Cover; Half-title; Title; Copyright; Contents; Preface; 1 The wave function; 2 Schrödinger wave mechanics; 3 General principles of quantum theory; 4 Harmonic oscillator; 5 Angular momentum; 6 The hydrogen atom; 7 Spin; 8 Systems of identical particles; 9 Approximation methods; 10 Molecular structure; Appendix A Mathematical formulas; Appendix B Fourier series and Fourier integral; Appendix C Dirac delta function; Appendix D Hermite polynomials; Appendix E Legendre and associated Legendre polynomials; Appendix F Laguerre and associated Laguerre polynomials
Appendix G Series solutions of differential equationsAppendix H Recurrence relation for hydrogen-atom expectation values; Appendix I Matrices; Appendix J Evaluation of the two-electron interaction integral; Selected bibliography; Index |
| Record Nr. | UNINA-9910780072903321 |
|
Fitts Donald D. <1932->
|
||
| Cambridge : , : Cambridge University Press, , 1999 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Principles of quantum mechanics as applied to chemistry and chemical physics / / Donald D. Fitts [[electronic resource]]
| Principles of quantum mechanics as applied to chemistry and chemical physics / / Donald D. Fitts [[electronic resource]] |
| Autore | Fitts Donald D. <1932-> |
| Pubbl/distr/stampa | Cambridge : , : Cambridge University Press, , 1999 |
| Descrizione fisica | 1 online resource (ix, 351 pages) : digital, PDF file(s) |
| Disciplina | 541.2/8 |
| Soggetto topico | Quantum chemistry |
| ISBN |
0-511-00763-9
0-511-81354-6 0-511-14905-0 0-511-05224-3 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
Cover; Half-title; Title; Copyright; Contents; Preface; 1 The wave function; 2 Schrödinger wave mechanics; 3 General principles of quantum theory; 4 Harmonic oscillator; 5 Angular momentum; 6 The hydrogen atom; 7 Spin; 8 Systems of identical particles; 9 Approximation methods; 10 Molecular structure; Appendix A Mathematical formulas; Appendix B Fourier series and Fourier integral; Appendix C Dirac delta function; Appendix D Hermite polynomials; Appendix E Legendre and associated Legendre polynomials; Appendix F Laguerre and associated Laguerre polynomials
Appendix G Series solutions of differential equationsAppendix H Recurrence relation for hydrogen-atom expectation values; Appendix I Matrices; Appendix J Evaluation of the two-electron interaction integral; Selected bibliography; Index |
| Record Nr. | UNINA-9910824796203321 |
|
Fitts Donald D. <1932->
|
||
| Cambridge : , : Cambridge University Press, , 1999 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Quanta : a handbook of concepts / P.W. Atkins
| Quanta : a handbook of concepts / P.W. Atkins |
| Autore | Atkins, Peter William |
| Edizione | [2nd ed.] |
| Pubbl/distr/stampa | Oxford [England] ; New York : Oxford University Press, 1991 |
| Descrizione fisica | 434 p. : ill. (some col.) ; 26 cm |
| Disciplina | 541.2/8 |
| Soggetto topico |
Quantum chemistry
Quantum theory |
| ISBN | 9780198555735 |
| Classificazione | LC QD462 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNISALENTO-991003780419707536 |
|
Atkins, Peter William
|
||
| Oxford [England] ; New York : Oxford University Press, 1991 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. del Salento | ||
| ||
