Polarizabilities Of Hydrogen Molecules Calculated Without Using The Born-Oppenheimer Approximation
PHYSICAL REVIEW A(2021)
摘要
The static dipole polarizabilities of the first three lowest states of hydrogen molecules H-2, HD, and D-2 are calculated using variationally generated wave functions in Hylleraas coordinates without using the Born-Oppenheimer approximation. Our results for H-2 and HD are two orders of magnitude more accurate than the best literature values. We also improve the previous best results for D-2.
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