Potential energies for the six singlet (solid curves) and four triplet states (dashed curves) in eV as a function of ; is fixed at the equilibrium length of for the ground state, and the three crossing points of the singlet state with the triplet state are indicated with circles.
The energy shifts for the SO coupling in for the (a) , (b) , and (c) states as a function of near the three crossing points indicated in Fig. 1; the shift represents the difference of the MRCI energy including SO coupling from that neglecting SO interaction.
Potential energy surfaces for the (a) , (b) , and (c) states of ; is fixed at the equilibrium distance for each state. The asterisk represents the potential minimum, and narrow and thick contours are shown for intervals of 0.2 and , respectively.
Transition dipole moment surfaces for (a) the system at , (b) the system at , and (c) the system at .
The absorption spectra for the excitation from the vibrational ground level of (a) and (b) ; the dashed curve represents the envelope of the harmonic FCFs (see text).
Comparison of the calculated and observed fluorescence spectra for the transition from (a) the (0, 1, 0) and (b) (1, 1, 0) levels of , and from (c) the (0, 2, 0) level of .
Comparison of the calculated and observed lifetimes for several vibrational levels of the state for (a) and (b) ; represents the vibronic energy from the state.
The absorption spectra from the vibrational ground level of the excitation from (a) the (0, 0, 0) and (b) (0, 3, 0) levels for , and (c) the (0, 0, 0) level for .
Equilibrium geometries and electronic energies of : is the Ge–H bond length, is the H–Ge–H angle, and is the energy difference from the ground state.
Comparison of calculated and observed vibrational energies in for the nonrotating state of , , and GeHD: the symmetric stretching , bending , and antisymmetric stretching modes.
Same as Table II but for the state of , , and GeHD..
Calculated vibrational energies in for the state of , , and GeHD; . The levels with and odd are the states with and , respectively.
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