2 papers
cond-mat.other2004
Excitations in photoactive molecules from quantum Monte Carlo
Friedemann Schautz, Francesco Buda, Claudia Filippi
Despite significant advances in electronic structure methods for the treatment of excited states, attaining an accurate description of the photoinduced processes in photoactive bio…
cond-mat.other2004
Optimized Jastrow-Slater wave functions for ground and excited states: Application to the lowest states of ethene
Friedemann Schautz, Claudia Filippi
A quantum Monte Carlo method is presented for determining multi-determinantal Jastrow-Slater wave functions for which the energy is stationary with respect to the simultaneous opti…