Wavepacket dynamics in five dimensions. Photodissociation of methyl iodide

[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 .