Decoupling local and synchronization transitions yields a linearly convergent MTTA algorithm that is accelerated to quadratic convergence and represented in tensor-train format, enabling computation on systems with up to billions of states.
V., Vandereycken, B., 2015
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RI-CC2 simulations of pyrazine internal conversion match the experimental 22 fs decay time, identify Q9a and Q8a modes as drivers, and show the dark A1u state participates actively.
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Tensor methods for the computation of MTTA in large systems of loosely interconnected components
Decoupling local and synchronization transitions yields a linearly convergent MTTA algorithm that is accelerated to quadratic convergence and represented in tensor-train format, enabling computation on systems with up to billions of states.
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Accessing the performance of CC2 for excited state dynamics: a benchmark study with pyrazine
RI-CC2 simulations of pyrazine internal conversion match the experimental 22 fs decay time, identify Q9a and Q8a modes as drivers, and show the dark A1u state participates actively.
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