89 citations · 182 across the 4 of their papers we have counts for
4 papers
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…
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…
Reply to the Comment on: Quantum Monte Carlo study of the dipole moment of CO [J. Chem. Phys. 110, 11700 (1999)]
F. Schautz, H. -J. Flad
In our previous publication we have mistakenly claimed that the applicability of the Hellmann-Feynman theorem in fixed-node quantum Monte Carlo calculations is not subject to the m…
Quasi-classical Molecular Dynamics Simulations of the Electron Gas: Dynamic properties
J. Ortner, F. Schautz, W. Ebeling
Results of quasi-classical molecular dynamics simulations of the quantum electron gas are reported. Quantum effects corresponding to the Pauli and the Heisenberg principle are mode…