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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 | ||
| ||
Absolutely small [[electronic resource] ] : how quantum theory explains our everyday world / / Michael D. Fayer
| Absolutely small [[electronic resource] ] : how quantum theory explains our everyday world / / Michael D. Fayer |
| Autore | Fayer Michael D |
| Pubbl/distr/stampa | New York, : AMACOM, c2010 |
| Descrizione fisica | 1 online resource (396 p.) |
| Disciplina | 530.12 |
| Soggetto topico |
Quantum theory
Quantum chemistry |
| ISBN |
1-282-65778-X
9786612657788 0-8144-1491-5 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Schrödinger's cat -- Size is absolute -- Some things about waves -- The photoelectric effect and Einstein's explanation -- Light: waves or particles? -- How big is a photon and the Heisenberg uncertainty principle -- Photons, electrons, and baseballs -- Quantum racquetball and the color of fruit -- The hydrogen atom: the history -- The hydrogen atom: quantum theory -- Many electron atoms and the periodic table of elements -- The hydrogen molecule and the covalent bond -- What holds atoms together - diatomic molecules -- Bigger molecules: the shapes of polyatomic molecules -- Beer and soap -- Fat, it's all about the double bonds -- Green house gases -- Aromatic molecules -- Metals, insulators, and semiconductors -- Think quantum. |
| Record Nr. | UNINA-9910785067603321 |
Fayer Michael D
|
||
| New York, : AMACOM, c2010 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Absolutely small : how quantum theory explains our everyday world / / Michael D. Fayer
| Absolutely small : how quantum theory explains our everyday world / / Michael D. Fayer |
| Autore | Fayer Michael D |
| Edizione | [1st ed.] |
| Pubbl/distr/stampa | New York, : AMACOM, c2010 |
| Descrizione fisica | 1 online resource (396 p.) |
| Disciplina | 530.12 |
| Soggetto topico |
Quantum theory
Quantum chemistry |
| ISBN |
1-282-65778-X
9786612657788 0-8144-1491-5 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Schrödinger's cat -- Size is absolute -- Some things about waves -- The photoelectric effect and Einstein's explanation -- Light: waves or particles? -- How big is a photon and the Heisenberg uncertainty principle -- Photons, electrons, and baseballs -- Quantum racquetball and the color of fruit -- The hydrogen atom: the history -- The hydrogen atom: quantum theory -- Many electron atoms and the periodic table of elements -- The hydrogen molecule and the covalent bond -- What holds atoms together - diatomic molecules -- Bigger molecules: the shapes of polyatomic molecules -- Beer and soap -- Fat, it's all about the double bonds -- Green house gases -- Aromatic molecules -- Metals, insulators, and semiconductors -- Think quantum. |
| Record Nr. | UNINA-9910828031603321 |
|
Fayer Michael D
|
||
| New York, : AMACOM, c2010 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Accurate condensed-phase quantum chemistry / / editor, Frederick R. Manby
| Accurate condensed-phase quantum chemistry / / editor, Frederick R. Manby |
| Pubbl/distr/stampa | Boca Raton : , : Taylor & Francis, , 2011 |
| Descrizione fisica | 1 online resource (214 p.) |
| Disciplina | 541/.28 |
| Altri autori (Persone) | ManbyFrederick R |
| Collana | Computation in chemistry |
| Soggetto topico |
Quantum chemistry
Condensed matter |
| Soggetto genere / forma | Electronic books. |
| ISBN |
0-429-13424-X
1-4398-0837-6 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
Front cover; Contents; Series Preface; Preface; Editor; Contributors; chapter one. Laplace transform second-order Møller-Plesset methods in the atomic orbital basis for periodic systems; chapter two. Density fitting for correlated calculations in periodic systems; chapter three. The method of increments-a wavefunction-based correlation method for extended systems; chapter four. The hierarchical scheme for electron correlation in crystalline solids; chapter five. Electrostatically embedded many-body expansion for large systems
chapter six. Electron correlation in solids: Delocalized and localized orbital approacheschapter seven. Ab initio Monte Carlo simulations of liquid water; Back cover |
| Record Nr. | UNINA-9910460024603321 |
| Boca Raton : , : Taylor & Francis, , 2011 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Accurate condensed-phase quantum chemistry / / editor, Frederick R. Manby
| Accurate condensed-phase quantum chemistry / / editor, Frederick R. Manby |
| Pubbl/distr/stampa | Boca Raton : , : Taylor & Francis, , 2011 |
| Descrizione fisica | 1 online resource (214 p.) |
| Disciplina | 541/.28 |
| Altri autori (Persone) | ManbyFrederick R |
| Collana | Computation in chemistry |
| Soggetto topico |
Quantum chemistry
Condensed matter |
| ISBN |
0-429-13424-X
1-4398-0837-6 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
Front cover; Contents; Series Preface; Preface; Editor; Contributors; chapter one. Laplace transform second-order Møller-Plesset methods in the atomic orbital basis for periodic systems; chapter two. Density fitting for correlated calculations in periodic systems; chapter three. The method of increments-a wavefunction-based correlation method for extended systems; chapter four. The hierarchical scheme for electron correlation in crystalline solids; chapter five. Electrostatically embedded many-body expansion for large systems
chapter six. Electron correlation in solids: Delocalized and localized orbital approacheschapter seven. Ab initio Monte Carlo simulations of liquid water; Back cover |
| Record Nr. | UNINA-9910785152103321 |
| Boca Raton : , : Taylor & Francis, , 2011 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Accurate condensed-phase quantum chemistry / / editor, Frederick R. Manby
| Accurate condensed-phase quantum chemistry / / editor, Frederick R. Manby |
| Pubbl/distr/stampa | Boca Raton : , : Taylor & Francis, , 2011 |
| Descrizione fisica | 1 online resource (214 p.) |
| Disciplina | 541/.28 |
| Altri autori (Persone) | ManbyFrederick R |
| Collana | Computation in chemistry |
| Soggetto topico |
Quantum chemistry
Condensed matter |
| ISBN |
0-429-13424-X
1-4398-0837-6 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
Front cover; Contents; Series Preface; Preface; Editor; Contributors; chapter one. Laplace transform second-order Møller-Plesset methods in the atomic orbital basis for periodic systems; chapter two. Density fitting for correlated calculations in periodic systems; chapter three. The method of increments-a wavefunction-based correlation method for extended systems; chapter four. The hierarchical scheme for electron correlation in crystalline solids; chapter five. Electrostatically embedded many-body expansion for large systems
chapter six. Electron correlation in solids: Delocalized and localized orbital approacheschapter seven. Ab initio Monte Carlo simulations of liquid water; Back cover |
| Record Nr. | UNINA-9910799969803321 |
| Boca Raton : , : Taylor & Francis, , 2011 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Soggetto topico
-
Quantum chemistry
(138)
- Quantum theory (17)
- Density functionals (11)
- Molecular structure (11)
- Chemical bonds (7)