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basis-set
Person
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Person
Publication
Programmes
Mgr. Jiří Klimeš Ph.D.
Academic staff at Faculty of Mathematics and Physics
2 classes
27 publications
Classes
class
Ab-initio methods for periodic systems
NBCM173 |
Faculty of Mathematics and Physics
class
Principles of Physics III - Quantum Mechanics
NBCM241 |
Faculty of Mathematics and Physics
Publications
publication
Using Noncovalent Interactions to Test the Precision of Projector-Augmented Wave Data Sets
2023 |
Faculty of Mathematics and Physics
publication
Binding energies of molecular solids from fragment and periodic approaches
2021 |
Faculty of Mathematics and Physics
publication
Accurate methods for the description of binding energies of molecular solids
2020 |
Faculty of Mathematics and Physics
publication
Random Phase Approximation Applied to Many-Body Noncovalent Systems
2020 |
Faculty of Mathematics and Physics
publication
Beyond the quasiparticle approximation: Fully self-consistent GW calculations
2018 |
Faculty of Mathematics and Physics
publication
Lattice energies of molecular solids from the random phase approximation with singles corrections
2016 |
Faculty of Mathematics and Physics
publication
Singles correlation energy contributions in solids
2015 |
Faculty of Mathematics and Physics
publication
Assessment of random phase approximation with different exchange-correlation functionals for description of binding energies of molecular solids
2023 |
Faculty of Mathematics and Physics
publication
Assessment of random phase approximation and second-order Moller-Plesset perturbation theory for many-body interactions in solid ethane, ethylene, and acetylene
2023 |
Faculty of Mathematics and Physics
publication
Understanding the wetting of transition metal dichalcogenides from an ab initio perspective
2023 |
Faculty of Mathematics and Physics
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