## Detail Information

### Publications

- Dephasing representation: Employing the shadowing theorem to calculate quantum correlation functionsJiri Vanicek

Mathematical Sciences Research Institute, Berkeley, California 94720, USA*Phys Rev E Stat Nonlin Soft Matter Phys*70:055201. 2004..Dephasing representation appears to be a rare practical method to calculate quantum correlation functions in nonuniversal regimes in many-dimensional systems where exact quantum computations are impossible... - Quantum-instanton evaluation of the kinetic isotope effectsJiri Vanicek

Department of Chemistry and Kenneth S Pitzer Center for Theoretical Chemistry, University of California, Berkeley, California 94720, USA*J Chem Phys*123:054108. 2005..In all seven test cases, for temperatures between 250 and 600 K, the error of the quantum instanton approximation for the kinetic isotope effects is less than approximately 10%... - Dephasing representation of quantum fidelity for general pure and mixed statesJiri Vanicek

Kenneth S Pitzer Center for Theoretical Chemistry, University of California, Berkeley, California 94720, USA*Phys Rev E Stat Nonlin Soft Matter Phys*73:046204. 2006..This makes the method applicable, via a phase-space approach, to problems of quantum computation... - Efficient estimators for quantum instanton evaluation of the kinetic isotope effects: application to the intramolecular hydrogen transfer in pentadieneJiri Vanicek

Kenneth S Pitzer Center for Theoretical Chemistry, Department of Chemistry, University of California, Berkeley, California 94720, USA*J Chem Phys*127:114309. 2007..The calculation treats all 39 degrees of freedom quantum mechanically and uses an empirical valence bond potential based on a molecular mechanics force field...