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The excited state in chemical physics . Volume 28 [[electronic resource] /] / edited by J. Wm. McGowan
The excited state in chemical physics . Volume 28 [[electronic resource] /] / edited by J. Wm. McGowan
Pubbl/distr/stampa New York, : Wiley, c1975
Descrizione fisica 1 online resource (506 p.)
Disciplina 541.28
541.305
Altri autori (Persone) McGowanJ. William <1931-> (James William)
Collana Advances in chemical physics
The excited state in chemical physics
Soggetto topico Excited state chemistry
Chemistry, Physical and theoretical
ISBN 1-282-34751-9
9786612347511
0-470-14380-0
0-470-14413-0
Formato Materiale a stampa
Livello bibliografico Monografia
Lingua di pubblicazione eng
Nota di contenuto THE EXCITED STATE IN CHEMICAL PHYSICS; CONTENTS; I. THE PRODUCTION OF EXCITED SPECIES IN SIMPLE CHEMICAL REACTIONS; II. POTENTIAL ENERGY SURFACE CONSIDERATIONS FOR EXCITED STATE REACTIONS; III. VIBRATIONAL AND ROTATIONAL EXCITATION IN GASEOUS COLLISIONS; IV. SENSITIZED FLUORESCENCE AND QUENCHING; V. THEORY OF NONADIABATIC COLLISION PROCESSES INCLUDING EXCITED ALKALI ATOMS; VI. EXCITATION DE-EXCITATION PROCESSES RELEVANT TO THE UPPER ATMOSPHERE; VII. APPLICATIONS TO LASERS; Author Index; Subject Index
Record Nr. UNINA-9910841221903321
New York, : Wiley, c1975
Materiale a stampa
Lo trovi qui: Univ. Federico II
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Field theoretical methods in chemical physics / R. Paul
Field theoretical methods in chemical physics / R. Paul
Autore PAUL, R.
Pubbl/distr/stampa Amsterdam [etc.] : Elsevier Scientific, 1982
Descrizione fisica VII, 414 p. : ill. ; 24 cm
Disciplina 541.28
Collana Studies in physical and theoretical chemistry
Soggetto topico Chimica quantistica
Teoria quantistica dei campi
Formato Materiale a stampa
Livello bibliografico Monografia
Lingua di pubblicazione eng
Record Nr. UNISA-990003284420203316
PAUL, R.  
Amsterdam [etc.] : Elsevier Scientific, 1982
Materiale a stampa
Lo trovi qui: Univ. di Salerno
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Ideas of quantum chemistry / Lucjan Piela
Ideas of quantum chemistry / Lucjan Piela
Autore PIELA, Lucjan
Edizione [3. ed.]
Pubbl/distr/stampa Amsterdam, : Elsevier, 2020
Descrizione fisica 2 volumi : ill. ; 23 cm
Disciplina 541.28
Soggetto topico Chimica quantistica
Formato Materiale a stampa
Livello bibliografico Monografia
Lingua di pubblicazione eng
Record Nr. UNISA-996363650103316
PIELA, Lucjan  
Amsterdam, : Elsevier, 2020
Materiale a stampa
Lo trovi qui: Univ. di Salerno
Opac: Controlla la disponibilità qui
Ideas of quantum chemistry / / Lucjan Piela, Department of Chemistry, University of Warsaw, Warsaw, Poland
Ideas of quantum chemistry / / Lucjan Piela, Department of Chemistry, University of Warsaw, Warsaw, Poland
Autore Piela Lucjan
Edizione [Second edition.]
Pubbl/distr/stampa Amsterdam : , : Elsevier, , 2014
Descrizione fisica 1 online resource (1272 p.)
Disciplina 541.28
Soggetto topico Quantum chemistry
Soggetto genere / forma Electronic books.
ISBN 0-444-59457-4
Formato Materiale a stampa
Livello bibliografico Monografia
Lingua di pubblicazione eng
Nota di contenuto Tree; Tree Text; Half Title; Title Page; Copyright; Dedication; Contents; Sources of Photographs and Figures; Introduction; 1 The Magic of Quantum Mechanics; 1.1 History of a Revolution; 1.2 Postulates of Quantum Mechanics; 1.3 The Heisenberg Uncertainty Principle; 1.4 The Copenhagen Interpretation of the World; 1.5 Disproving the Heisenberg Principle-Einstein-Podolsky-Rosen's Recipe; 1.6 Schrödinger's Cat; 1.7 Bilocation; 1.8 The Magic of Erasing the Past; 1.9 A Test for a Common Sense: The Bell Inequality; 1.10 Photons Violate the Bell Inequality; 1.11 Teleportation; 1.12 Quantum Computing
Additional Literature2 The Schrödinger Equation; 2.1 Symmetry of the Hamiltonian and Its Consequences; 2.1.1 The Non-Relativistic Hamiltonian and Conservation Laws; 2.1.2 Invariance with Respect to Translation; 2.1.3 Invariance with Respect to Rotation; 2.1.4 Invariance with Respect to Permutation of Identical Particles (Fermions and Bosons); 2.1.5 Invariance of the Total Charge; 2.1.6 Fundamental and Less Fundamental Invariances; 2.1.7 Invariance with Respect to Inversion-Parity; 2.1.8 Invariance with Respect to Charge Conjugation
2.1.9 Invariance with Respect to the Symmetry of the Nuclear Framework2.1.10 Conservation of Total Spin; 2.1.11 Indices of Spectroscopic States; 2.2 Schrödinger Equation for Stationary States; 2.2.1 Wave Functions of Class Q; 2.2.2 Boundary Conditions; 2.2.2.1 Mathematical and Physical Solutions; 2.3 The Time-Dependent Schrödinger Equation; 2.3.1 Evolution in Time; 2.3.2 Time Dependence of Mechanical Quantities; 2.3.3 Energy Is Conserved; 2.3.4 Symmetry Is Conserved; 2.3.5 Meditations at a Spring; 2.3.6 Linearity; 2.4 Evolution After Switching a Perturbation
2.4.1 The Two-State Model-Time-Independent Perturbation2.4.2 Two States-Degeneracy; 2.4.3 The Two-State Model - An Oscillating Perturbation; 2.4.4 Two States-Resonance Case; 2.4.5 Short-Time Perturbation-The First-Order Approach; 2.4.6 Time-Independent Perturbation and the Fermi Golden Rule; 2.4.7 The Most Important Case: Periodic Perturbation; Additional Literature; 3 Beyond the Schrödinger Equation; 3.1 A Glimpse of Classical Relativity Theory; 3.1.1 The Vanishing of Apparent Forces; 3.1.2 The Galilean Transformation; 3.1.3 The Michelson-Morley Experiment
3.1.4 The Galilean Transformation Crashes3.1.5 The Lorentz Transformation; 3.1.6 New Law of Adding Velocities; 3.1.7 The Minkowski Space-Time Continuum; 3.1.8 How Do We Get E=mc2?; 3.2 Toward Relativistic Quantum Mechanics; 3.3 The Dirac Equation; 3.3.1 The Dirac Electronic Sea and the Day of Glory; 3.3.2 The Dirac Equations for Electrons and Positrons; 3.3.3 Spinors and Bispinors; 3.3.4 What Next?; 3.3.5 Large and Small Components of the Bispinor; 3.3.6 How to avoid Drowning in the Dirac Sea; 3.3.7 From Dirac to Schrödinger-How Is the Non-Relativistic Hamiltonian Derived?
3.3.8 How Does the Spin Appear?
Record Nr. UNINA-9910453494703321
Piela Lucjan  
Amsterdam : , : Elsevier, , 2014
Materiale a stampa
Lo trovi qui: Univ. Federico II
Opac: Controlla la disponibilità qui
Ideas of quantum chemistry / / by Lucjan Piela, Deparment of Chemistry, University of Warsaw, Warsaw, Poland
Ideas of quantum chemistry / / by Lucjan Piela, Deparment of Chemistry, University of Warsaw, Warsaw, Poland
Autore Piela Lucjan
Edizione [Second edition.]
Pubbl/distr/stampa Waltham, MA : , : Elsevier, , 2014
Descrizione fisica 1 online resource (xxxv, 1037 pages) : illustrations (some color)
Disciplina 541.28
Collana Gale eBooks
Soggetto topico Quantum chemistry
ISBN 0-444-59457-4
Formato Materiale a stampa
Livello bibliografico Monografia
Lingua di pubblicazione eng
Nota di contenuto Tree; Tree Text; Half Title; Title Page; Copyright; Dedication; Contents; Sources of Photographs and Figures; Introduction; 1 The Magic of Quantum Mechanics; 1.1 History of a Revolution; 1.2 Postulates of Quantum Mechanics; 1.3 The Heisenberg Uncertainty Principle; 1.4 The Copenhagen Interpretation of the World; 1.5 Disproving the Heisenberg Principle-Einstein-Podolsky-Rosen's Recipe; 1.6 Schrödinger's Cat; 1.7 Bilocation; 1.8 The Magic of Erasing the Past; 1.9 A Test for a Common Sense: The Bell Inequality; 1.10 Photons Violate the Bell Inequality; 1.11 Teleportation; 1.12 Quantum Computing
Additional Literature2 The Schrödinger Equation; 2.1 Symmetry of the Hamiltonian and Its Consequences; 2.1.1 The Non-Relativistic Hamiltonian and Conservation Laws; 2.1.2 Invariance with Respect to Translation; 2.1.3 Invariance with Respect to Rotation; 2.1.4 Invariance with Respect to Permutation of Identical Particles (Fermions and Bosons); 2.1.5 Invariance of the Total Charge; 2.1.6 Fundamental and Less Fundamental Invariances; 2.1.7 Invariance with Respect to Inversion-Parity; 2.1.8 Invariance with Respect to Charge Conjugation
2.1.9 Invariance with Respect to the Symmetry of the Nuclear Framework2.1.10 Conservation of Total Spin; 2.1.11 Indices of Spectroscopic States; 2.2 Schrödinger Equation for Stationary States; 2.2.1 Wave Functions of Class Q; 2.2.2 Boundary Conditions; 2.2.2.1 Mathematical and Physical Solutions; 2.3 The Time-Dependent Schrödinger Equation; 2.3.1 Evolution in Time; 2.3.2 Time Dependence of Mechanical Quantities; 2.3.3 Energy Is Conserved; 2.3.4 Symmetry Is Conserved; 2.3.5 Meditations at a Spring; 2.3.6 Linearity; 2.4 Evolution After Switching a Perturbation
2.4.1 The Two-State Model-Time-Independent Perturbation2.4.2 Two States-Degeneracy; 2.4.3 The Two-State Model - An Oscillating Perturbation; 2.4.4 Two States-Resonance Case; 2.4.5 Short-Time Perturbation-The First-Order Approach; 2.4.6 Time-Independent Perturbation and the Fermi Golden Rule; 2.4.7 The Most Important Case: Periodic Perturbation; Additional Literature; 3 Beyond the Schrödinger Equation; 3.1 A Glimpse of Classical Relativity Theory; 3.1.1 The Vanishing of Apparent Forces; 3.1.2 The Galilean Transformation; 3.1.3 The Michelson-Morley Experiment
3.1.4 The Galilean Transformation Crashes3.1.5 The Lorentz Transformation; 3.1.6 New Law of Adding Velocities; 3.1.7 The Minkowski Space-Time Continuum; 3.1.8 How Do We Get E=mc2?; 3.2 Toward Relativistic Quantum Mechanics; 3.3 The Dirac Equation; 3.3.1 The Dirac Electronic Sea and the Day of Glory; 3.3.2 The Dirac Equations for Electrons and Positrons; 3.3.3 Spinors and Bispinors; 3.3.4 What Next?; 3.3.5 Large and Small Components of the Bispinor; 3.3.6 How to avoid Drowning in the Dirac Sea; 3.3.7 From Dirac to Schrödinger-How Is the Non-Relativistic Hamiltonian Derived?
3.3.8 How Does the Spin Appear?
Record Nr. UNINA-9910790854603321
Piela Lucjan  
Waltham, MA : , : Elsevier, , 2014
Materiale a stampa
Lo trovi qui: Univ. Federico II
Opac: Controlla la disponibilità qui
Ideas of quantum chemistry / / by Lucjan Piela, Deparment of Chemistry, University of Warsaw, Warsaw, Poland
Ideas of quantum chemistry / / by Lucjan Piela, Deparment of Chemistry, University of Warsaw, Warsaw, Poland
Autore Piela Lucjan
Edizione [Second edition.]
Pubbl/distr/stampa Waltham, MA : , : Elsevier, , 2014
Descrizione fisica 1 online resource (xxxv, 1037 pages) : illustrations (some color)
Disciplina 541.28
Collana Gale eBooks
Soggetto topico Quantum chemistry
ISBN 0-444-59457-4
Formato Materiale a stampa
Livello bibliografico Monografia
Lingua di pubblicazione eng
Nota di contenuto Tree; Tree Text; Half Title; Title Page; Copyright; Dedication; Contents; Sources of Photographs and Figures; Introduction; 1 The Magic of Quantum Mechanics; 1.1 History of a Revolution; 1.2 Postulates of Quantum Mechanics; 1.3 The Heisenberg Uncertainty Principle; 1.4 The Copenhagen Interpretation of the World; 1.5 Disproving the Heisenberg Principle-Einstein-Podolsky-Rosen's Recipe; 1.6 Schrödinger's Cat; 1.7 Bilocation; 1.8 The Magic of Erasing the Past; 1.9 A Test for a Common Sense: The Bell Inequality; 1.10 Photons Violate the Bell Inequality; 1.11 Teleportation; 1.12 Quantum Computing
Additional Literature2 The Schrödinger Equation; 2.1 Symmetry of the Hamiltonian and Its Consequences; 2.1.1 The Non-Relativistic Hamiltonian and Conservation Laws; 2.1.2 Invariance with Respect to Translation; 2.1.3 Invariance with Respect to Rotation; 2.1.4 Invariance with Respect to Permutation of Identical Particles (Fermions and Bosons); 2.1.5 Invariance of the Total Charge; 2.1.6 Fundamental and Less Fundamental Invariances; 2.1.7 Invariance with Respect to Inversion-Parity; 2.1.8 Invariance with Respect to Charge Conjugation
2.1.9 Invariance with Respect to the Symmetry of the Nuclear Framework2.1.10 Conservation of Total Spin; 2.1.11 Indices of Spectroscopic States; 2.2 Schrödinger Equation for Stationary States; 2.2.1 Wave Functions of Class Q; 2.2.2 Boundary Conditions; 2.2.2.1 Mathematical and Physical Solutions; 2.3 The Time-Dependent Schrödinger Equation; 2.3.1 Evolution in Time; 2.3.2 Time Dependence of Mechanical Quantities; 2.3.3 Energy Is Conserved; 2.3.4 Symmetry Is Conserved; 2.3.5 Meditations at a Spring; 2.3.6 Linearity; 2.4 Evolution After Switching a Perturbation
2.4.1 The Two-State Model-Time-Independent Perturbation2.4.2 Two States-Degeneracy; 2.4.3 The Two-State Model - An Oscillating Perturbation; 2.4.4 Two States-Resonance Case; 2.4.5 Short-Time Perturbation-The First-Order Approach; 2.4.6 Time-Independent Perturbation and the Fermi Golden Rule; 2.4.7 The Most Important Case: Periodic Perturbation; Additional Literature; 3 Beyond the Schrödinger Equation; 3.1 A Glimpse of Classical Relativity Theory; 3.1.1 The Vanishing of Apparent Forces; 3.1.2 The Galilean Transformation; 3.1.3 The Michelson-Morley Experiment
3.1.4 The Galilean Transformation Crashes3.1.5 The Lorentz Transformation; 3.1.6 New Law of Adding Velocities; 3.1.7 The Minkowski Space-Time Continuum; 3.1.8 How Do We Get E=mc2?; 3.2 Toward Relativistic Quantum Mechanics; 3.3 The Dirac Equation; 3.3.1 The Dirac Electronic Sea and the Day of Glory; 3.3.2 The Dirac Equations for Electrons and Positrons; 3.3.3 Spinors and Bispinors; 3.3.4 What Next?; 3.3.5 Large and Small Components of the Bispinor; 3.3.6 How to avoid Drowning in the Dirac Sea; 3.3.7 From Dirac to Schrödinger-How Is the Non-Relativistic Hamiltonian Derived?
3.3.8 How Does the Spin Appear?
Record Nr. UNINA-9910807756303321
Piela Lucjan  
Waltham, MA : , : Elsevier, , 2014
Materiale a stampa
Lo trovi qui: Univ. Federico II
Opac: Controlla la disponibilità qui
Ideas of quantum chemistry / by Lucjan Piela
Ideas of quantum chemistry / by Lucjan Piela
Autore Piela, Lucjan
Pubbl/distr/stampa Amsterdam [etc.] : Elsevier, 2007
Descrizione fisica XXXIV, 1086 p. : ill. ; 25 cm.
Disciplina 541.28
Soggetto topico Chimica quantistica
ISBN 0-444-52227-1
Formato Materiale a stampa
Livello bibliografico Monografia
Lingua di pubblicazione eng
Record Nr. UNIBAS-000033693
Piela, Lucjan  
Amsterdam [etc.] : Elsevier, 2007
Materiale a stampa
Lo trovi qui: Univ. della Basilicata
Opac: Controlla la disponibilità qui
Ideas of quantum chemistry / by Lucjan Piela
Ideas of quantum chemistry / by Lucjan Piela
Autore Piela, Lucjan
Pubbl/distr/stampa Amsterdam [etc.] : Elsevier, 2007
Descrizione fisica XXXIV, 1086 p. : ill. ; 25 cm.
Disciplina 541.28
Soggetto topico Chimica quantistica
ISBN 0-444-52227-1
Formato Materiale a stampa
Livello bibliografico Monografia
Lingua di pubblicazione eng
Record Nr. UNIBAS-000030736
Piela, Lucjan  
Amsterdam [etc.] : Elsevier, 2007
Materiale a stampa
Lo trovi qui: Univ. della Basilicata
Opac: Controlla la disponibilità qui
Ideas of quantum chemistry / / by Lucjan Piela
Ideas of quantum chemistry / / by Lucjan Piela
Autore Piela Lucjan <1943->
Edizione [1st ed.]
Pubbl/distr/stampa Amsterdam ; ; Boston, : Elsevier, 2007
Descrizione fisica 1 online resource (1121 p.)
Disciplina 541.28
Soggetto topico Quantum chemistry
Chemistry, Physical and theoretical
Soggetto genere / forma Electronic books.
ISBN 1-280-72926-0
9786610729265
0-08-046676-1
Formato Materiale a stampa
Livello bibliografico Monografia
Lingua di pubblicazione eng
Nota di contenuto Front cover; Ideas of Quantum Chemistry; Copyright page; Contents; Introduction; Chapter 1. The Magic of Quantum Mechanics; 1.1 History of a revolution; 1.2 Postulates; 1.3 The Heisenberg uncertainty principle; 1.4 The Copenhagen interpretation; 1.5 How to disprove the Heisenberg principle? The Einstein-Podolsky-Rosen recipe; 1.6 Is the world real?; 1.7 The Bell inequality will decide; 1.8 Intriguing results of experiments with photons; 1.9 Teleportation; 1.10 Quantum computing; Chapter 2. The Schrödinger Equation; 2.1 Symmetry of the Hamiltonian and its consequences
2.2 Schrödinger equation for stationary states2.3 The time-dependent Schrödinger equation; 2.4 Evolution after switching a perturbation; Chapter 3. Beyond the Schrödinger Equation; 3.1 A glimpse of classical relativity theory; 3.2 Reconciling relativity and quantum mechanics; 3.3 The Dirac equation; 3.4 The hydrogen-like atom in Dirac theory; 3.5 Larger systems; 3.6 Beyond the Dirac equation...; Chapter 4. Exact Solutions - Our Beacons; 4.1 Free particle; 4.2 Particle in a box; 4.3 Tunnelling effect; 4.4 The harmonic oscillator; 4.5 Morse oscillator; 4.6 Rigid rotator; 4.7 Hydrogen-like atom
4.8 Harmonic helium atom (harmonium)4.9 What do all these solutions have in common?; 4.10 Beacons and pearls of physics; Chapter 5. Two Fundamental Approximate Methods; 5.1 Variational method; 5.2 Perturbational method; Chapter 6. Separation of Electronic and Nuclear Motions; 6.1 Separation of the centre-of-mass motion; 6.2 Exact (non-adiabatic) theory; 6.3 Adiabatic approximation; 6.4 Born-Oppenheimer approximation; 6.5 Oscillations of a rotating molecule; 6.6 Basic principles of electronic, vibrational and rotational spectroscopy; 6.7 Approximate separation of rotations and vibrations
6.8 Polyatomic molecule6.9 Non-bound states; 6.10 Adiabatic, diabatic and non-adiabatic approaches; 6.11 Crossing of potential energy curves for diatomics; 6.12 Polyatomic molecules and conical intersection; 6.13 Beyond the adiabatic approximation...; Chapter 7. Motion of Nuclei; 7.1 Rovibrational spectra - an example of accurate calculations: atom - diatomic molecule; 7.2 Force fields (FF); 7.3 Local Molecular Mechanics (MM); 7.4 Global molecular mechanics; 7.5 Small amplitude harmonic motion - normal modes; 7.6 Molecular Dynamics (MD); 7.7 Simulated annealing; 7.8 Langevin Dynamics
7.9 Monte Carlo Dynamics7.10 Car-Parrinello dynamics; 7.11 Cellular automata; Chapter 8. Electronic Motion in the Mean Field: Atoms and Molecules; 8.1 Hartree-Fock method - a bird's eye view; 8.2 The Fock equation for optimal spinorbitals; 8.3 Total energy in the Hartree-Fock method; 8.4 Computational technique: atomic orbitals as building blocks of the molecular wave function; 8.5 Back to foundations...; Results of the hartree-fock method; 8.6 Mendeleev Periodic Table of Chemical Elements; 8.7 The nature of the chemical bond
8.8 Excitation energy, ionization potential, and electron affinity (RHF approach)
Record Nr. UNINA-9910480902503321
Piela Lucjan <1943->  
Amsterdam ; ; Boston, : Elsevier, 2007
Materiale a stampa
Lo trovi qui: Univ. Federico II
Opac: Controlla la disponibilità qui
Ideas of quantum chemistry / / by Lucjan Piela
Ideas of quantum chemistry / / by Lucjan Piela
Autore Piela Lucjan <1943->
Edizione [1st ed.]
Pubbl/distr/stampa Amsterdam ; ; Boston, : Elsevier, 2007
Descrizione fisica 1 online resource (1121 p.)
Disciplina 541.28
Soggetto topico Quantum chemistry
Chemistry, Physical and theoretical
ISBN 1-280-72926-0
9786610729265
0-08-046676-1
Formato Materiale a stampa
Livello bibliografico Monografia
Lingua di pubblicazione eng
Nota di contenuto Front cover; Ideas of Quantum Chemistry; Copyright page; Contents; Introduction; Chapter 1. The Magic of Quantum Mechanics; 1.1 History of a revolution; 1.2 Postulates; 1.3 The Heisenberg uncertainty principle; 1.4 The Copenhagen interpretation; 1.5 How to disprove the Heisenberg principle? The Einstein-Podolsky-Rosen recipe; 1.6 Is the world real?; 1.7 The Bell inequality will decide; 1.8 Intriguing results of experiments with photons; 1.9 Teleportation; 1.10 Quantum computing; Chapter 2. The Schrödinger Equation; 2.1 Symmetry of the Hamiltonian and its consequences
2.2 Schrödinger equation for stationary states2.3 The time-dependent Schrödinger equation; 2.4 Evolution after switching a perturbation; Chapter 3. Beyond the Schrödinger Equation; 3.1 A glimpse of classical relativity theory; 3.2 Reconciling relativity and quantum mechanics; 3.3 The Dirac equation; 3.4 The hydrogen-like atom in Dirac theory; 3.5 Larger systems; 3.6 Beyond the Dirac equation...; Chapter 4. Exact Solutions - Our Beacons; 4.1 Free particle; 4.2 Particle in a box; 4.3 Tunnelling effect; 4.4 The harmonic oscillator; 4.5 Morse oscillator; 4.6 Rigid rotator; 4.7 Hydrogen-like atom
4.8 Harmonic helium atom (harmonium)4.9 What do all these solutions have in common?; 4.10 Beacons and pearls of physics; Chapter 5. Two Fundamental Approximate Methods; 5.1 Variational method; 5.2 Perturbational method; Chapter 6. Separation of Electronic and Nuclear Motions; 6.1 Separation of the centre-of-mass motion; 6.2 Exact (non-adiabatic) theory; 6.3 Adiabatic approximation; 6.4 Born-Oppenheimer approximation; 6.5 Oscillations of a rotating molecule; 6.6 Basic principles of electronic, vibrational and rotational spectroscopy; 6.7 Approximate separation of rotations and vibrations
6.8 Polyatomic molecule6.9 Non-bound states; 6.10 Adiabatic, diabatic and non-adiabatic approaches; 6.11 Crossing of potential energy curves for diatomics; 6.12 Polyatomic molecules and conical intersection; 6.13 Beyond the adiabatic approximation...; Chapter 7. Motion of Nuclei; 7.1 Rovibrational spectra - an example of accurate calculations: atom - diatomic molecule; 7.2 Force fields (FF); 7.3 Local Molecular Mechanics (MM); 7.4 Global molecular mechanics; 7.5 Small amplitude harmonic motion - normal modes; 7.6 Molecular Dynamics (MD); 7.7 Simulated annealing; 7.8 Langevin Dynamics
7.9 Monte Carlo Dynamics7.10 Car-Parrinello dynamics; 7.11 Cellular automata; Chapter 8. Electronic Motion in the Mean Field: Atoms and Molecules; 8.1 Hartree-Fock method - a bird's eye view; 8.2 The Fock equation for optimal spinorbitals; 8.3 Total energy in the Hartree-Fock method; 8.4 Computational technique: atomic orbitals as building blocks of the molecular wave function; 8.5 Back to foundations...; Results of the hartree-fock method; 8.6 Mendeleev Periodic Table of Chemical Elements; 8.7 The nature of the chemical bond
8.8 Excitation energy, ionization potential, and electron affinity (RHF approach)
Record Nr. UNINA-9910784599303321
Piela Lucjan <1943->  
Amsterdam ; ; Boston, : Elsevier, 2007
Materiale a stampa
Lo trovi qui: Univ. Federico II
Opac: Controlla la disponibilità qui