Seminar by Mr. Yoshihiro Ide


Electro-protonic wave functions of one-dimensional H2 by time-dependent multiconfiguration expansion

Electro-protonic wave functions of a one-dimensional hydrogen molecule in the ground state are calculated by the multiconfiguration time-dependent Hartree-Fock (MCTDHF) method. By the current MCTDHF method, 99.9 % of the correlation energy is obtained by using the number of grids that is only 4% of those required when using the conventional Born-Huang expansion for obtaining the same amount of the correlation energy.


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