Global potential energy surfaces for the H3+ system. Analytical representation of the adiabatic ground-state 11A′ potential
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چکیده
منابع مشابه
Coupled quasidiabatic potential energy surfaces for LiFH
We present high-level ab initio calculations for the global adiabatic potential energy surfaces of the ground state (X̃ A8) and several excited states ~Ã A8, B̃ A9, C̃ A8, D̃ A8, and Ẽ A9! of LiFH, including the valleys leading to Li1HF and LiF1H. The ab initio calculations were carried out using the multireference singles and doubles configuration interaction method with 99 reference configuration...
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