Rothe's method stabilizes Gaussian wavepacket propagation for quantum dynamics, yielding grid-comparable accuracy for electronic and rovibrational processes including high-harmonic generation using remarkably few functions.
TD-CI Simulationof theElectronic OpticalRe- sponse of Molecules in Intense Fields: Comparison of RPA, CIS, CIS(D), and EOM-CCSD
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Rothe's Method for Quantum Dynamics in Atoms and Molecules with Gaussian Wavepackets
Rothe's method stabilizes Gaussian wavepacket propagation for quantum dynamics, yielding grid-comparable accuracy for electronic and rovibrational processes including high-harmonic generation using remarkably few functions.