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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书目名称Advances in the Theory of Atomic and Molecular Systems网络公开度学科排名




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书目名称Advances in the Theory of Atomic and Molecular Systems被引频次学科排名




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LEVY

取之不竭

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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Ccu106

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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