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With small quantum computers becoming a reality, first applications are eagerly sought. Quantum chemistry presents a spectrum of… Expand The fact that a new text book introducing the essentials of computational chemistry contains more than 500 pages shows… Expand One-Electron Equations for Embedded Electron Density: Challenge for Theory and Practical Payoffs in Multi-Level Modeling of… Expand Computing Technologies, Theories, and Algorithms. The Making of 40 Years and More of Theoretical and Computational. A Dynamical… Expand Preface. Acknowledgments. Symbols Used in This Book. Introduction. BASIC TOPICS. Fundamental Principles. Ab initio Methods… Expand "Chemists familiar with conventional quantum mechanics will applaud and benefit greatly from this particularly instructive… Expand NWChem is the software package for computational chemistry on massively parallel computing systems developed by the High… Expand Preface to the First Edition. Preface to the Second Edition. 1. Introduction. 2 Force Field Methods. 3. Electronic Structure… Expand A role for electronic structure databases in assisting users of quantum chemistry applications select better model parameters is… Expand