Advances in the Theory of Atomic and Molecular Systems: Conceptual and Computational Advances in Quantum ChemistryPiotr Piecuch, Jean Maruani, Gerardo Delgado-Barrio, Stephen Wilson Springer Science & Business Media, 30 de set. 2009 - 448 pàgines Advances in the Theory of Atomic and Molecular Systems, is a collection of contributions presenting recent theoretical and computational developments that provide new insights into the structure, properties, and behavior of a variety of atomic and molecular systems. This volume (subtitled: Conceptual and Computational Advances in Quantum Chemistry) focuses on electronic structure theory and its foundations. This volume is an invaluable resource for faculty, graduate students, and researchers interested in theoretical and computational chemistry and physics, physical chemistry and chemical physics, molecular spectroscopy, and related areas of science and engineering. |
Continguts
| 3 | |
A Personal Perspective | 33 |
Energy Computation for Exponentially Correlated FourBody | 61 |
The Equivalence Principle from a Quantum Mechanical Perspective 73 | 72 |
Relativistically Covariant ManyBody Perturbation Procedure | 93 |
Relativistic Variational Calculations for Complex Atoms | 115 |
Linear Scaling Local Correlation Extensions of the Standard | 130 |
Efficient | 197 |
FermiVacuum Invariance in Multiconfiguration Perturbation Theory | 257 |
Energy Densities of Exchange and Correlation in the Slowly Varying | 296 |
OrbitalFree Embedding Effective Potential in Analytically | 311 |
A Simple Analytical Density Model for Atoms and Ions Based on | 327 |
Implications in Electronic Structure | 341 |
Interpretation | 363 |
The Dissociation Catastrophe in FluctuatingCharge Models and | 397 |
Information Planes and Complexity Measures for Atomic Systems | 416 |
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