TY - JOUR
T1 - Exact two-electron wave packet dynamics of H2 in an intense laser field
T2 - Formation of localized ionic states H+H-
AU - Harumiya, Kenji
AU - Kawata, Isao
AU - Kono, Hirohiko
AU - Fujimura, Yuichi
PY - 2000/11
Y1 - 2000/11
N2 - An efficient grid method that can accurately deal with two-electron systems was developed. Electron-electron repulsion is incorporated into the wave packet propagation scheme, without introducing any approximations. The positions of the two electrons are designed in terms of cylindrical coordinates (ρ1,z1,φ1) and (ρ2,z2,φ2). By using the dual transformation technique, the awkward attractive Coulomb potentials were treated and the numerical difficulties arising from their singular points were removed.
AB - An efficient grid method that can accurately deal with two-electron systems was developed. Electron-electron repulsion is incorporated into the wave packet propagation scheme, without introducing any approximations. The positions of the two electrons are designed in terms of cylindrical coordinates (ρ1,z1,φ1) and (ρ2,z2,φ2). By using the dual transformation technique, the awkward attractive Coulomb potentials were treated and the numerical difficulties arising from their singular points were removed.
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U2 - 10.1063/1.1319348
DO - 10.1063/1.1319348
M3 - Article
AN - SCOPUS:0034317185
VL - 113
SP - 8953
EP - 8960
JO - Journal of Chemical Physics
JF - Journal of Chemical Physics
SN - 0021-9606
IS - 20
ER -