Energy Landscapes, Inherent Structures, and Condensed-Matter Phenomena (eBook)

Frank H. Stillinger (Autor)

eBook Download: PDF

2015
528 Seiten
Princeton University Press (Verlag)
978-1-4008-7397-5 (ISBN)

Infos

This book presents an authoritative and in-depth treatment of potential energy landscape theory, a powerful analytical approach to describing the atomic and molecular interactions in condensed-matter phenomena. Drawing on the latest developments in the computational modeling of many-body systems, Frank Stillinger applies this approach to a diverse range of substances and systems, including crystals, liquids, glasses and other amorphous solids, polymers, and solvent-suspended biomolecules.Stillinger focuses on the topography of the multidimensional potential energy hypersurface created when a large number of atoms or molecules simultaneously interact with one another. He explains how the complex landscape topography separates uniquely into individual "e;basins,"e; each containing a local potential energy minimum or "e;inherent structure,"e; and he shows how to identify interbasin transition states-saddle points-that reside in shared basin boundaries. Stillinger describes how inherent structures and their basins can be classified and enumerated by depth, curvatures, and other attributes, and how those enumerations lead logically from vastly complicated multidimensional landscapes to properties observed in the real three-dimensional world.Essential for practitioners and students across a variety of fields, the book illustrates how this approach applies equally to systems whose nuclear motions are intrinsically quantum mechanical or classical, and provides novel strategies for numerical simulation computations directed toward diverse condensed-matter systems.

Autor

Frank H. Stillinger is senior scientist in the Department of Chemistry at Princeton University. He is a member of the National Academy of Sciences.

Produkt-Details

• Erscheint lt. Verlag: 17.11.2015
• Zusatzinfo: 125 line illus. 32 tables.
• Verlagsort: Princeton
• Sprache: englisch
• Themenwelt: Naturwissenschaften ► Chemie
• Themenwelt: Naturwissenschaften ► Physik / Astronomie ► Atom- / Kern- / Molekularphysik
• Themenwelt: Naturwissenschaften ► Physik / Astronomie ► Festkörperphysik
• Themenwelt: Naturwissenschaften ► Physik / Astronomie ► Hochenergiephysik / Teilchenphysik
• Schlagworte: Activity Coefficient • Anharmonicity • Binding energy • Charge Density • Chemical Bond • Chemical polarity • chemical potential • chemical structure • chemical substance • colloid • Condensed matter physics • Conformational isomerism • Cryogenics • Crystal • crystal structure • Degrees of freedom (mechanics) • density functional theory • density of states • Dimensional Analysis • Dissociation constant • Dynamic Light Scattering • Effective mass (solid-state physics) • Eigenfunction • Einstein relation (kinetic theory) • Elasticity (physics) • electrolyte • Electron density • Electron magnetic moment • Electrostatics • energy landscape • Energy Minimization • Energy operator • Enthalpy • Enthalpy of fusion • Entropy • Fermi–Dirac statistics • Fermi Gas • Fermi Liquid Theory • Fermion • Fermi surface • Field effect (semiconductor) • fractal dimension • Harmonic oscillator • heat capacity • Hydrogen bond • interaction energy • internal energy • Ion • Ionization • Isotope effect • kinetic theory of gases • lattice energy • mass–energy equivalence • Maxwell–Boltzmann distribution • Microscopic reversibility • Molecular beam • Molecular mass • Molecular Vibration • Molecule • Monomer • multipole expansion • Neutrino • Neutron temperature • nucleation • number density • Order and disorder (physics) • Partition function (statistical mechanics) • Percolation threshold • Perturbation theory (quantum mechanics) • Phase diagram • phase transition • Phonon • polarization density • Polymer • potential energy • potential energy surface • Projection method (fluid dynamics) • Properties of Water • Quantity • quantum entanglement • quantum mechanics • Solution • Structure factor • Superconductivity • Supercritical fluid • Superfluidity • Surface energy • Temperature • thermal conductivity • thermal equilibrium • thermal expansion • Thermodynamic Equilibrium • Thermodynamic free energy • Thermodynamic Integration • Thermodynamic state • Thermodynamic Temperature • Threshold energy • transport coefficient • Vibrational partition function • Virial coefficient
• ISBN-10: 1-4008-7397-5 / 1400873975
• ISBN-13: 978-1-4008-7397-5 / 9781400873975