Time Integration in the Multiconfiguration Time-Dependent Hartree Method of Molecular Quantum Dynamics
نویسندگان
چکیده
منابع مشابه
Vibrational dynamics of the H5(+) and its isotopologues from multiconfiguration time-dependent Hartree calculations.
Full-dimensional multiconfiguration time-dependent Hartree (MCTDH) computations are reported for the vibrational states of the H(5)(+) and its H(4)D(+), H(3)D(2)(+), H(2)D(3)(+), HD(4)(+), D(5)(+) isotopologues employing two recent analytical potential energy surfaces of Xie et al. [J. Chem. Phys. 122, 224307 (2005)] and Aguado et al. [J. Chem. Phys. 133, 024306 (2010)]. The potential energy op...
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ژورنال
عنوان ژورنال: Applied Mathematics Research eXpress
سال: 2015
ISSN: 1687-1200,1687-1197
DOI: 10.1093/amrx/abv006