ℹ️
🇬🇧
Search
Search for people relevant for "gradient"
gradient
Person
Class
Person
Publication
Programmes
doc. Dr. rer. nat. Jiří Pittner DSc.
External academic staff at Faculty of Science, Faculty of Mathematics and Physics
7 classes
10 publications
Classes
class
Analytical gradients technics in quantum chemistry
MC260P109 |
Faculty of Science
class
Computer as a Tool in Theoretical Chemistry
MC260P04 |
Faculty of Science
class
Density functional and density matrix functional theory in quantum chemistry
MC260P47 |
Faculty of Science
class
Second quantization, diagrammatic technique, perturbation and coupled cluster theory
MC260P57 |
Faculty of Science
class
Numerical and algorithmical methods in quantum chemistry
MC260P62 |
Faculty of Science
class
Symmetric and unitary group theory and the configuration interaction method
MC260P63 |
Faculty of Science
class
Quantum computers and algorithms
NBCM137 |
Faculty of Mathematics and Physics
Publications
publication
Theoretical Investigation of the Effect of Alkylation and Bromination on Intersystem Crossing in BODIPY-Based Photosensitizers
2021 |
Faculty of Science, Central Library of Charles University
publication
Ground state of the Fe(ii)-porphyrin model system corresponds to quintet: a DFT and DMRG-based tailored CC study
2020 |
Central Library of Charles University, Faculty of Mathematics and Physics
publication
Relativistic coupled clusters externally corrected by four-component DMRG
2019 |
Faculty of Science, Faculty of Mathematics and Physics
publication
Photophysics of BODIPY-Based Photosensitizer for Photodynamic Therapy: Surface Hopping and Classical Molecular Dynamics
2019 |
Faculty of Science, Central Library of Charles University
publication
Perturbative triples correction to domain-based local pair natural orbital variants of Mukherjee's state specific coupled cluster method
2019 |
Faculty of Science, Central Library of Charles University
publication
Orientation of Laurdan in Phospholipid Bilayers Influences Its Fluorescence: Quantum Mechanics and Classical Molecular Dynamics Study
2018 |
Faculty of Science, Central Library of Charles University
publication
Domain-Based Local Pair Natural Orbital Version of Mukherjee's State-Specific Coupled Cluster Method
2018 |
Faculty of Science, Central Library of Charles University
publication
Strongly Correlated Systems and the Method of the Renormalization Group Matrix in Quantum Chemistry
2018 |
Central Library of Charles University, Faculty of Mathematics and Physics
publication
A MRCC study of the isomerisation of cyclopropane
2017 |
Faculty of Science, Central Library of Charles University
publication
Multireference coupled cluster study of the oxyallyl diradical
2012 |
Faculty of Science, Central Library of Charles University
Loading network view...