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Coherent transfer via environment-induced vibronic resonance
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10.1063/1.3146903
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Affiliations:
1 WPI-Advanced Institute for Materials Research, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai 980-8577, Japan
a) Electronic mail: hiroyuki@wpi-aimr.tohoku.ac.jp.
J. Chem. Phys. 130, 214705 (2009)
/content/aip/journal/jcp/130/21/10.1063/1.3146903
http://aip.metastore.ingenta.com/content/aip/journal/jcp/130/21/10.1063/1.3146903
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## Figures

FIG. 1.

Schematic illustration of the resonance conditions determined by the crossing of harmonic potentials of frequency . (a) Resonance between the vibronic states without electronic decay energy . (b) Resonance between the vibrational ground and excited states ( and ). (c) Off-resonant potential crossing .

FIG. 2.

Population of the final state in the wave packet dynamics of the system mode of frequency : 0.2 (the unit is eV for all parameters). (a) Rabi oscillations between the initial state and final states . Here, , , , and and three values of , 0.25, and 0.45 are considered, which correspond to the potential biases , 0.2, and 0.4, respectively. (b) Coherent population transfer with a strong electronic coupling , where other conditions are identical to the resonance in (a). (c) Dynamics from a nonstationary initial wave packet on a resonant potential crossing, where the initial wave packet center is at (not the minimum) and the potential crossing is identical to that used for the resonance in (a). (d) Partial transfer between off-resonant vibronic states , where and other conditions are identical to (a).

FIG. 3.

(a) Position expectation values of wave packet (, bold , , bold ). (b) Potentials of the initial (dark gray) and final (gray) states along the system mode at 0 fs (solid lines) and 150 fs (dotted lines). (c) Population of the final state in the wave packet dynamics of the system plus single environment mode. Here, , , , , , , , and . The unit is eV for all parameters. [(d)–(f)] Results of another calculation with the same parameters except for , which corresponds to .

FIG. 4.

Population of the final state in the wave packet dynamics of the system plus single environment mode. (a) Effects of the initial potential bias , where , 0.15, 0.25, and 0.3 correspond to , 0.2, 0.3, and 0.35, respectively. (b) Effects of the system-environment coupling strength , 0.025, and 0.03. For all calculations, , , , , , and . The unit is eV for all parameters.

FIG. 5.

Results of the wave packet dynamics of the system plus narrow-band (left panels) and wide-band (right panels) environments, where , , , , , and . (a) Population of the final state. (b) Position expectation values on the initial state along the system and environmental modes based on Eq. (3) (, ) and (c) those based on Eq. (4) (, , , ). The unit is eV for all parameters. [(d)–(f)] The counterparts for a wide-band environment: , , , , , .

FIG. 6.

Population of the final state in the wave packet dynamics of the system plus (a) narrow- and (b) wide-band environments as a function of the initial potential bias , where , 0.15, 0.25, and 0.3 correspond to , 0.2, 0.3, and 0.35, respectively (eV). Other parameters are identical to those used in Fig. 5.

FIG. 7.

Population of the final state in the wave packet dynamics of the system plus narrow- and wide-band environments, where the parameters are identical to those used in Fig. 5 except for the electronic coupling .

FIG. 8.

(a) Population of the final state in the wave packet dynamics of the system plus excited environmental modes. The solid, dotted, and dashed lines indicate the populations at 0, 77, and 300 K, respectively. [(b) and (c)] Position expectation values of the wave packet on the initial state along the system and environmental modes, which correspond to the two samples of population plots at 300 K. [(d)–(f)] The counterparts for a wide-band environment. The parameters are identical to those used in Fig. 5.

/content/aip/journal/jcp/130/21/10.1063/1.3146903
2009-06-02
2014-04-19

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