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- W8116181 abstract "Abstract Recently, we proposed an iteration method for solving the eigenvalue problem of the time-independent Schrodinger equation [H. Meisner, E.O. Steinborn, Int. J. Quantum Chem., 61 (1997) 777]. The wave function expansion coefficients (WECs) are matrix elements of the wave operator. They are determined iteratively by utilizing a reference space, the concept of an effective Hamiltonian (in general), and the generalized Bloch equation. Here, in order to test the WEC iteration method, we use a special variant of this iteration method to calculate the 1 A 1 − 3 B 1 energy splitting of CH2 and the ground state 1 Σ + g potential energy surface of the van der Waals' molecule Be2. This special variant leads to good results when compared with CI and CC calculations." @default.
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- W8116181 date "1998-07-01" @default.
- W8116181 modified "2023-09-26" @default.
- W8116181 title "Calculation of the separation of CH2 and the ground state potential curve of Be2 utilizing the generalized Bloch equation" @default.
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- W8116181 doi "https://doi.org/10.1016/s0166-1280(98)00018-9" @default.
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