4.6 Article

Quantum Dynamics of H2+ in Intense Laser Fields on Time-Dependent Potential Energy Surfaces

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JOURNAL OF PHYSICAL CHEMISTRY A
卷 116, 期 34, 页码 8762-8767

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AMER CHEMICAL SOC
DOI: 10.1021/jp305712d

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We have exploited the fully time-dependent Born-Oppenheimer approximation to develop time-dependent potential energy surfaces for the lowest two states of H-2(+) in the presence of intense, time-varying, few-cycle laser fields of 2-8 fs duration. Quantum dynamics are explored on these field-dressed, time-dependent potentials. Our results show that the potential well in the lowest-energy state of H-2(+) (i) collapses as the laser pulse reaches its peak amplitude and (ii) regains its form on the trailing edge of the pulse, and (iii) the trapped nuclear wavepacket has a higher probability of leaking out from the well in the case of longer laser pulses. The carrier envelope phase is found to have negligible effect on the nuclear dynamics.

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