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The Journal of Chemical Physics|December 23, 2019
Vibrational (resonance) Raman optical activity with real time time dependent density functional theoryJohann Mattiat, Sandra LuberThe Journal of Chemical Physics|November 10, 2018
Efficient calculation of (resonance) Raman spectra and excitation profiles with real-time propagationJohann Mattiat, Sandra LuberJournal of Chemical Theory and Computation|August 30, 2022
Comparison of Length, Velocity, and Symmetric Gauges for the Calculation of Absorption and Electric Circular Dichroism Spectra with Real-Time Time-Dependent Density Functional TheoryJohann Mattiat, Sandra LuberJournal of Chemical Theory and Computation|December 3, 2020
Time Domain Simulation of (Resonance) Raman Spectra of Liquids in the Short Time ApproximationJohann Mattiat, Sandra LuberNature Communications|January 7, 2023
Automatic purpose-driven basis set truncation for time-dependent Hartree-Fock and density-functional theoryRuocheng Han, Johann Mattiat, Sandra LuberPhysical Chemistry Chemical Physics : PCCP|May 22, 2023
The position operator problem in periodic calculations with an emphasis on theoretical spectroscopyEdward Ditler, Johann Mattiat, Sandra LuberThe Journal of Chemical Physics|March 17, 2018
Effects of tunnelling and asymmetry for system-bath models of electron transferJohann Mattiat, Jeremy O RichardsonJournal of the American Chemical Society|February 13, 2023
BODIPY-Based Photothermal Agents with Excellent Phototoxic Indices for Cancer TreatmentLukas Schneider, Martina Kalt, Samuel Koch, et al.The Journal of Physical Chemistry. A|August 4, 2025
Exploring Excited-State Electronic Structure, Spectroscopy, and Nonadiabatic Dynamics with CP2K's Multifaceted ApproachKota Hanasaki, Tjeerd Futaii de Jong, Konstantin Komarov, et al.The Journal of Chemical Physics|December 22, 2014
Local electric dipole moments for periodic systems via density functional theory embeddingSandra LuberPageof 11