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electronic structure of solids and molecules, including density-functional theory and chemical methods based on Hartree-Fock theory. The basic;
Vergelijkbare producten zoals Electronic Structure Calculations for Solids and Molecules
electronic structure in a novel manner.* Only book that covers the Generator Coordinate Method and applications for atoms, molecules and;
Vergelijkbare producten zoals Electronic, Atomic and Molecular Calculations
is provided by the band theory approach to the electronic structure of solids. The chemically insightful concept of orbital interaction and the;
Vergelijkbare producten zoals Orbital Approach To The Electronic Structure Of Solids
The f-elements and their compounds often possess an unusually complex electronic structure, governed by the high number of electronic;
Vergelijkbare producten zoals Computational Methods in Lanthanide and Actinide Chemistry
achievements in calculating mechanical and electronic properties of molecules, polymers, and solids are described. Recent developments related to the;
Vergelijkbare producten zoals Density Functional Theory and Its Application to Materials
, Electronic Structure of Materials helps advanced undergraduate and graduate students understand electronic structure methods and enables them to use;
Vergelijkbare producten zoals Electronic Structure of Materials
have been developed for the determination and interpretation of molecular wave functions. Although a comprehensive theory of the electronic;
Vergelijkbare producten zoals The Determination and Interpretation of Molecular Wave Functions
Calculations for Diatomic Molecules, and more. Provides reports on current work in molecular and atomic quantum mechanics
Vergelijkbare producten zoals Novel Electronic Structure Theory: General Innovations and Strongly Correlated Systems
theory (MP2) Examines local and density fitted schemes for MP2 in crystalline systems Presents test calculations for a variety of systems with;
Vergelijkbare producten zoals Accurate Condensed-Phase Quantum Chemistry
Concepts and Methods in Modern Theoretical Chemistry: Electronic Structure and Reactivity, the first book in a two-volume set, focuses on;
Vergelijkbare producten zoals Concepts and Methods in Modern Theoretical Chemistry
Concepts and Methods in Modern Theoretical Chemistry: Electronic Structure and Reactivity, the first book in a two-volume set, focuses on;
Vergelijkbare producten zoals Concepts and Methods in Modern Theoretical Chemistry
subjects: the vibrational and electronic states of molecules and solids, crystal field and ligand field theory, transition metal complexes, space;
Vergelijkbare producten zoals Applications of Group Theory to Atoms, Molecules, and Solids
electronic structures of molecules and solids.;
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applications for the most widely used electronic structure methods. The book covers all commonly used basis sets including localized Gaussian and;
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addition to the series Atoms, Molecules, and Clusters, the two books offer chapters written by experts in their fields. They enable readers to;
Vergelijkbare producten zoals Concepts and Methods in Modern Theoretical Chemistry
. This focus is similar to the one taken in the book, Comparison of Ab Initio Quantum Chemistry with Experiment for Small Molecules , edited by;
Vergelijkbare producten zoals Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy / druk 1
covers electronic and optical phenomena, magnetism and superconductivity. There is also an extensive treatment of defects in solids, including;
Vergelijkbare producten zoals Atomic and Electronic Structure of Solids
answers, chemical science, chemical reactions, chemical bonding, liquids and solids MCQs and quiz study guides for SAT/ACT/GAT/GRE/CLEP/GED;
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important biological solids, including viruses, fibril-forming molecules, and molecules embedded in the cell membrane. Filling a void in the;
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-periodic solids currently undergoing the most study: alloys, surfaces and clusters. Understanding the electronic structure of these systems;
Vergelijkbare producten zoals Electronic Structure of Alloys, Surfaces and Clusters
: Molecules and clusters; Point defects and defect complexes in solids; Hydrogen and positive muons in metals and semiconductors; Disordered solids;
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Physics of Atoms, Molecules, Solids and Nuclei provides the foundation for much of one's future work in atomic, molecular, solid state and;
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Written by a founding father of computational chemistry, Structure and Properties of Organic Molecules provides organic, physical;
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their identity with properties not too different from those of the free molecules. At energies below the electronic excitation energy, the;
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demonstrates its competitiveness for performing ab initio calculations on large and complex models of practical systems. A brief historical account and;
Vergelijkbare producten zoals Electronic Structure Methods for Complex Materials
; electronic structure of molecules, classification of vibrational and rotational motions of molecules, wave propagation and oscillations in dielectric;
Vergelijkbare producten zoals Physics, Optics, and Spectroscopy of Materials
combining classical and nonclassical contributions are summarized. The authors describe the most efficient method for studying the electronic;
Vergelijkbare producten zoals An Introduction to Electronic Structure Theory
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