List of works - Jiří Vaníček

A combined on-the-fly/interpolation procedure for evaluating energy values needed in molecular simulations

scientific article published on 01 November 2019

A time-reversible integrator for the time-dependent Schrödinger equation on an adaptive grid

scientific article published on 01 December 2019

Accelerating equilibrium isotope effect calculations. II. Stochastic implementation of direct estimators

scientific article published on 01 October 2019

Applicability of the Thawed Gaussian Wavepacket Dynamics to the Calculation of Vibronic Spectra of Molecules with Double-Well Potential Energy Surfaces

scientific article published on 14 April 2022

Beating the Efficiency of Both Quantum and Classical Simulations with a Semiclassical Method ⬇️

scientific article published on November 14, 2011

Beyond Transition State Theory: Accurate Description of Nuclear Quantum Effects on the Rate and Equilibrium Constants of Chemical Reactions Using Feynman Path Integrals ⬇️

scientific article published on January 1, 2011

Core-Valence Attosecond Transient Absorption Spectroscopy of Polyatomic Molecules

scientific article published in 2021

Efficient geometric integrators for nonadiabatic quantum dynamics. I. The adiabatic representation

scientific article published on 01 May 2019

Efficient geometric integrators for nonadiabatic quantum dynamics. II. The diabatic representation

scientific article published on 01 May 2019

On-the-Fly Ab Initio Semiclassical Evaluation of Absorption Spectra of Polyatomic Molecules beyond the Condon Approximation

scientific article published on 24 April 2018

On-the-fly ab initio semiclassical evaluation of third-order response functions for two-dimensional electronic spectroscopy

scientific article published on 01 November 2020

On-the-fly ab initio semiclassical evaluation of vibronic spectra at finite temperature

scientific article published on 01 July 2020

Optimal Use of Conservation and Accessibility Filters in MicroRNA Target Prediction ⬇️

scientific article published on February 27, 2012

Path integral approach to the quantum fidelity amplitude. ⬇️

scientific article published on June 2016

Publisher's Note: "Semiclassical analysis of the quantum instanton approximation" [J. Chem. Phys. 151, 144111 (2019)]

scientific article published on 01 November 2019

Relation of exact Gaussian basis methods to the dephasing representation: Theory and application to time-resolved electronic spectra ⬇️

scientific article published on July 21, 2013

Semiclassical Approach to Photophysics Beyond Kasha's Rule and Vibronic Spectroscopy Beyond the Condon Approximation. The Case of Azulene

scientific article published on 12 March 2020

Semiclassical analysis of the quantum instanton approximation