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Titlebook: Advances in the Theory of Atomic and Molecular Systems; Conceptual and Compu Piotr Piecuch,Jean Maruani,Stephen Wilson Book 2009 Springer S

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發(fā)表于 2025-3-21 16:43:01 | 只看該作者 |倒序?yàn)g覽 |閱讀模式
期刊全稱Advances in the Theory of Atomic and Molecular Systems
期刊簡稱Conceptual and Compu
影響因子2023Piotr Piecuch,Jean Maruani,Stephen Wilson
視頻videohttp://file.papertrans.cn/151/150264/150264.mp4
發(fā)行地址Discusses the most significant advances in the development of quantum methodologies as applied to atomic, molecular, and condensed matter systems.Provides a timely update to a spectrum of theoretical
學(xué)科分類Progress in Theoretical Chemistry and Physics
圖書封面Titlebook: Advances in the Theory of Atomic and Molecular Systems; Conceptual and Compu Piotr Piecuch,Jean Maruani,Stephen Wilson Book 2009 Springer S
影響因子.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..
Pindex Book 2009
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The Correlation Consistent Composite Approach (ccCA): Efficient and Pan-Periodic Kinetics and Thermocontext of the developments and discoveries, an overview of variations of the ccCA model chemistry, and some discourse on future research thrusts. The success of ccCA for chemical applications is reviewed.
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An Illustrated Overview of the Origins and Development of the , Meetingsas a meeting every year, always with proceedings published. This historical overview will be presented as an illustrated journey in picturesque cities of Western and Eastern Europe, North Africa, and North America, sprinkled with historical or philosophical anecdotes and insights.
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Energy Computation for Exponentially Correlated Four-Body Wavefunctions expressible using the same basic integrals, but it is useful to organize the computations in ways that take advantage of the relations between integrals and that illustrate the underlying symmetry of the formulation. The utility of the formulation presented here is illustrated by an “ultra-compact” computation of the ground state of the Li atom.
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Performance of Block Correlated Coupled Cluster Method with the CASSCF Reference Function for Carbonis demonstrated that the CAS-BCCC method can provide more accurate PESs for C–C bond-breaking PESs than CASPT2 and MR-CISD. The overall performance of CAS-BCCC is shown to be comparable to that of MR-CISD+Q for systems under study.
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