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potential-energy surface
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
Computer as a Tool in Theoretical Chemistry
MC260P04 |
Faculty of Science
class
Analytical gradients technics in quantum chemistry
MC260P109 |
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
Photophysics of BODIPY-Based Photosensitizer for Photodynamic Therapy: Surface Hopping and Classical Molecular Dynamics
2019 |
Faculty of Science, Central Library of Charles University
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
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
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