He–He chemical bonding in high-frequency intense laser fields
作者： Tomokazu Yasuike , Kiyohiko Someda
DOI: 10.1088/0953-4075/37/15/010
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摘要: On the basis of Kramers–Henneberger (KH) high-frequency approximation, we carried out an ab initio molecular orbital calculation for He2 in intense laser fields. The potential energy curve is found to be attractive, indicating that a He–He chemical bond formed. formation ascribable changes nature KH orbitals. Intense fields cause kind sp hybridization atomic degree depends on internuclear distance, and reaches maximum at around equilibrium distance. This remarkably strengthens/weakens bonding/anti-bonding character 1σg/1σu orbitals, respectively.
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