Wavepacket dynamics in five dimensions. Photodissociation of methyl iodide
暂无分享,去创建一个
[1] U. Manthe,et al. Wave‐packet dynamics within the multiconfiguration Hartree framework: General aspects and application to NOCl , 1992 .
[2] Tucker Carrington,et al. The discrete variable representation of a triatomic Hamiltonian in bond length–bond angle coordinates , 1992 .
[3] Hua Guo. Three‐dimensional photodissociation dynamics of methyl iodide , 1992 .
[4] R. Gerber,et al. Quantum molecular dynamics by a perturbation-corrected time-dependent self-consitent-field method , 1991 .
[5] K. Morokuma,et al. Ab initio potential energy surfaces and trajectory studies of A‐band photodissociation dynamics: CH3I*→CH3+I and CH3+I* , 1991 .
[6] R. Coalson,et al. Adding configuration interaction to the time‐dependent Hartree grid approximation , 1990 .
[7] R. Kosloff,et al. Quantum mechanical reactive scattering by a multiconfigurational time-dependent self-consistent field (MCTDSCF) approach , 1990 .
[8] U. Manthe,et al. The multi-configurational time-dependent Hartree approach , 1990 .
[9] Abraham Nitzan,et al. Multiconfiguration time-dependent self-consistent field approximation for curve crossing in presence of a bath. A fast fourier transform study , 1988 .
[10] Nancy Makri,et al. Time‐dependent self‐consistent field (TDSCF) approximation for a reaction coordinate coupled to a harmonic bath: Single and multiple configuration treatments , 1987 .
[11] B. Pullman,et al. Large Finite Systems , 1987 .
[12] Ronnie Kosloff,et al. A direct relaxation method for calculating eigenfunctions and eigenvalues of the Schrödinger equation on a grid , 1986 .
[13] Joel M. Bowman,et al. The self-consistent-field approach to polyatomic vibrations , 1986 .
[14] P. Botschwina,et al. Spectroscopic properties of the methyl radical calculated from UHF SCEP wavefunctions , 1983 .
[15] A. Gedanken,et al. Magnetic circular dichroism spectra of the methyl halides. Resolution of the n → σ* continuum , 1975 .