Accelerating Real-Time Coupled Cluster Methods with Single-Precision Arithmetic and Adaptive Numerical Integration.
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DOI: 10.1021/acs.jctc.2c00490
Abstract: We explore the framework of a real-time coupled cluster method with a focus on improving its computational efficiency. Propagation of the wave function via the time-dependent Schrödinger equation places high demands on computing resources, particularly… read more here.
Keywords: time; single precision; coupled cluster; time coupled ... See more keywords