TY  - JOUR
ID  - Koch2006
LB  - Koch2006
AU  - Koch, Othmar
TI  - Efficient computation of the MCTDHF approximation to the time-dependent Schrödinger equation
ST  - Efficient computation of the MCTDHF approximation to the time-dependent Schrödinger equation
JO  - Opuscula Math.
JA  - Opuscula Math.
JF  - Opuscula Mathematica
PY  - 2006
VL  - 26
IS  - 3
SP  - 483
EP  - 497
DO  - http://dx.doi.org/10.7494/OpMath.2006.26.3.483
UR  - http://dx.doi.org/10.7494/OpMath.2006.26.3.483
AB  - We discuss analytical and numerical properties of the multi-configuration time-dependent Hartree-Fock method for the approximate solution of the time-dependent multi-particle (electronic) Schrödinger equation which are relevant for an efficient implementation of this model reduction technique. Particularly, we focus on a discretization and low rank approximation in the evaluation of the meanfield terms occurring in the MCTDHF equations of motion, which is crucial for the computational tractability of the problem. We give error bounds for this approximation and demonstrate the achieved gain in performance.
KW  - multi-configuration time-dependent Hartree-Fock method
KW  - time-dependent multi-particle Schrödinger equation
KW  - Coulomb potential
KW  - finite elements
SN  - 1232-9274
ER  -