Reduced-Scaling Correlation Methods for the Excited States of Large Molecules: Implementation and Benchmarks for the Second-Order Algebraic-Diagrammatic Construction Approach.
作者： Dávid Mester , Péter R. Nagy , Mihály Kállay
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摘要: A framework for reduced-scaling implementation of excited-state correlation methods is presented. An algorithm introduced to construct excitation-specific local domains, which include all import...
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