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 | ||
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Lo trovi qui: Univ. Federico II | ||
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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 | ||
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Lo trovi qui: Univ. Federico II | ||
|
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 | ||
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Lo trovi qui: Univ. Federico II | ||
|
Ab initio methods in quantum chemistry . II / / 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-9910877712503321 |
Chichester [West Sussex] ; ; New York, : Wiley, c1987 | ||
![]() | ||
Lo trovi qui: Univ. Federico II | ||
|
Ab initio methods in quantum chemistry . Part I / / 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-9910877200503321 |
Chichester [West Sussex] ; ; New York, : Wiley, c1987 | ||
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Lo trovi qui: Univ. Federico II | ||
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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
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New York, : AMACOM, c2010 | ||
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Lo trovi qui: Univ. Federico II | ||
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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 | ||
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Lo trovi qui: Univ. Federico II | ||
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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 | ||
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Lo trovi qui: Univ. Federico II | ||
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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 | ||
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Lo trovi qui: Univ. Federico II | ||
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Advanced quantum technologies |
Pubbl/distr/stampa | Berlin, Germany : , : Wiley-VCH Verlag GmbH & Co. KGaA, , [2018]- |
Descrizione fisica | 1 online resource |
Disciplina | 537.5 |
Soggetto topico |
Quantum theory
Quantum computing Quantum chemistry |
Soggetto genere / forma | Periodicals. |
ISSN | 2511-9044 |
Formato | Materiale a stampa ![]() |
Livello bibliografico | Periodico |
Lingua di pubblicazione | eng |
Altri titoli varianti |
Adv. Quantum Technol
QUTE |
Record Nr. | UNISA-996326243303316 |
Berlin, Germany : , : Wiley-VCH Verlag GmbH & Co. KGaA, , [2018]- | ||
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Lo trovi qui: Univ. di Salerno | ||
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