Any order imaginary time propagation method for solving the Schrödinger equation
نویسندگان
چکیده
منابع مشابه
Any order imaginary time propagation method for solving the Schrödinger equation
The eigenvalue-function pair of the 3D Schrödinger equation can be efficiently computed by use of high order, imaginary time propagators. Due to the diffusion character of the kinetic energy operator in imaginary time, algorithms developed so far are at most fourth-order. In this work, we show that for a grid based algorithm, imaginary time propagation of any even order can be devised on the ba...
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ژورنال
عنوان ژورنال: Chemical Physics Letters
سال: 2009
ISSN: 0009-2614
DOI: 10.1016/j.cplett.2009.01.068