Quantum dynamics and laser control for photochemistry. ([2016])

• Record Type: Book
• Further Information: Note: Matthieu Sala.
• Authors: Sala, Matthieu
• Contents: Parts of this thesis have been published in the following journal articles:; Supervisors' Foreword; Acknowledgments; Contents; 1 General Introduction; References; Part I Theoretical Studies in Photophysics and Photochemistry: Applications to Aniline and Pyrazine; 2 Basic Concepts and Methodology; 2.1 The Molecular Schrödinger Equation; 2.1.1 The Molecular Hamiltonian Operator; 2.1.2 The Born -- Oppenheimer Approximation; 2.2 Vibronic Coupling; 2.2.1 The Group Born -- Oppenheimer Approximation; 2.2.2 The Diabatic Representation; 2.2.3 Conical Intersections. 2.3 Basics of Electronic Structure Theory2.3.1 Spin Orbitals and Slater Determinants; 2.3.2 The Hartree -- Fock Approximation; 2.3.3 Electronic Correlation; 2.4 Potential Energy Surface Exploration; 2.4.1 Minima and Transition State Optimization; 2.4.2 Minimum Energy Conical Intersection Optimization; 2.4.3 Minimum Energy Paths Optimization; References; 3 Exploration of the Potential Energy Landscape of Aniline Using CASSCF and XMCQDPT2 Electronic Structure Calculations; 3.1 Introduction; 3.1.1 General Trends in the Photochemistry of Simple Aromatic Organic Molecules.
• Publisher Details: Switzerland : Springer
• Publication Date: 2016
• Copyright Date: 2016
• Extent: 1 online resource, illustrations
• Subjects: 541.35; Chemistry; Photochemistry; Quantum theory; SCIENCE -- Chemistry -- Physical & Theoretical; Photochemistry; Quantum theory; Science -- Quantum Theory; Science -- Chemistry -- General; Science -- Molecular Physics; Quantum physics (quantum mechanics & quantum field theory); Maths for scientists; Plasma physics; Chemistry; Chemistry -- Mathematics; Quantum & theoretical chemistry; Electronic books
• Languages: English
• ISBNs: 9783319289793; 3319289799; 3319289780; 9783319289786
• Related ISBNs: 9783319289786
• Notes: Note: Includes bibliographical references.; Note: Online resource; title from PDF title page (EBSCO, viewed January 28, 2016).
• Access Rights: Legal Deposit; Only available on premises controlled by the deposit library and to one user at any one time; The Legal Deposit Libraries (Non-Print Works) Regulations (UK).
• Access Usage: Restricted: Printing from this resource is governed by The Legal Deposit Libraries (Non-Print Works) Regulations (UK) and UK copyright law currently in force.