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Chemistry

D-Index
43
Citations
7112
World Ranking
17196
National Ranking
91

Overview

Jiří Pittner is affiliated with the Czech Academy of Sciences in the Czech Republic. Their research primarily spans the field of Physics and Astronomy, with a strong focus on Atomic and Molecular Physics, and Optics. Other subfields of their work include Materials Chemistry, Spectroscopy, Physical and Theoretical Chemistry, and Statistical and Nonlinear Physics.

The main topics Jiří Pittner investigates encompass Advanced Chemical Physics Studies, Spectroscopy and Quantum Chemical Studies, Quantum Many-Body Systems, Porphyrin and Phthalocyanine Chemistry, Machine Learning in Materials Science, Luminescence and Fluorescent Materials, and Nanoplatforms for Cancer Theranostics.

Some of the frequent co-authors collaborating with Jiří Pittner are Marek Pederzoli, Libor Veis, Örs Legeza, Mario Barbatti, and Jan Brandejs.

Their work has been published in multiple venues, with repeated contributions to:

  • arXiv (Cornell University)
  • Journal of Chemical Theory and Computation
  • The Journal of Chemical Physics
  • The Journal of Physical Chemistry A
  • Quantum Science and Technology

Selected recent papers by Jiří Pittner include:

  • Newton-X Platform: New Software Developments for Surface Hopping and Nuclear Ensembles, 2022, Journal of Chemical Theory and Computation
  • Variational quantum eigensolver for approximate diagonalization of downfolded Hamiltonians using generalized unitary coupled cluster ansatz, 2021, Quantum Science and Technology
  • Near-Linear Scaling in DMRG-Based Tailored Coupled Clusters: An Implementation of DLPNO-TCCSD and DLPNO-TCCSD(T), 2020, Journal of Chemical Theory and Computation
  • Theoretical Investigation of the Effect of Alkylation and Bromination on Intersystem Crossing in BODIPY-Based Photosensitizers, 2021, The Journal of Physical Chemistry B
  • Hilbert space multireference coupled cluster tailored by matrix product states, 2023, The Journal of Chemical Physics

Best Publications

  • NWChem: Past, Present, and Future

    E. Aprà;E. J. Bylaska;W. A. de Jong;N. Govind

  • Newton-X: a surface-hopping program for nonadiabatic molecular dynamics

    Mario Barbatti;Matthias Ruckenbauer;Felix Plasser;Jiri Pittner

  • Assessment of the single-root multireference Brillouin–Wigner coupled- cluster method: Test calculations on CH2, SiH2, and twisted ethylene

    Jiřı́ Pittner;Petr Nachtigall;Petr Čársky;Jozef Mášik

  • Surface hopping dynamics using a locally diabatic formalism: Charge transfer in the ethylene dimer cation and excited state dynamics in the 2-pyridone dimer

    Felix Plasser;Giovanni Granucci;Jiri Pittner;Mario Barbatti

  • Surface Hopping Dynamics with Correlated Single-Reference Methods: 9H-Adenine as a Case Study.

    Felix Plasser;Rachel Crespo-Otero;Marek Pederzoli;Jiri Pittner

  • An accurate relativistic effective core potential for excited states of Ag atom: An application for studying the absorption spectra of Agn and Agn+ clusters

    Vlasta Bonačić-Koutecký;Jiřı́ Pittner;Marc Boiron;Piercarlo Fantucci

  • Effective core potential‐configuration interaction study of electronic structure and geometry of small anionic Agn clusters: Predictions and interpretation of photodetachment spectra

    V. Bonačić‐Koutecký;L. Češpiva;P. Fantucci;J. Pittner

  • Non-adiabatic dynamics of pyrrole: Dependence of deactivation mechanisms on the excitation energy

    Mario Barbatti;Jiří Pittner;Marek Pederzoli;Ute Werner

  • Optimization of mixed quantum-classical dynamics: Time-derivative coupling terms and selected couplings

    Jiri Pittner;Hans Lischka;Mario Barbatti

  • Multireference coupled-cluster calculations on the energy of activation in the automerization of cyclobutadiene: Assessment of the state-specific multireference Brillouin–Wigner theory

    Juan Carlos Sancho-Garcı́a;Jiřı́ Pittner;Petr Čársky;Ivan Hubač

  • Nonadiabatic Molecular Dynamics Study of the cis-trans Photoisomerization of Azobenzene Excited to the S-1 State

    Marek Pederzoli;Jiří Pittner;Mario Barbatti;Hans Lischka

  • Coupled Cluster Method with Single and Double Excitations Tailored by Matrix Product State Wave Functions

    Libor Veis;Andrej Antalík;Jiří Brabec;Frank Neese

  • Multireference Brillouin-Wigner coupled clusters method with noniterative perturbative connected triples.

    Ondřej Demel;Jiří Pittner

  • State-Specific Brillouin-Wigner Multireference Coupled Cluster Study of the Singlet-Triplet Separation in the Tetramethyleneethane Diradical

    Jiří Pittner;Petr Nachtigall;Petr Čársky;Ivan Hubač

  • A Local Pair Natural Orbital-Based Multireference Mukherjee's Coupled Cluster Method.

    Ondřej Demel;Jiří Pittner;Frank Neese

  • Ab initio predictions of structural and optical response properties of Na+n clusters: Interpretation of depletion spectra at low temperature

    V. Bonačić‐Koutecký;J. Pittner;C. Fuchs;P. Fantucci

  • Theoretical exploration of femtosecond multi-state nuclear dynamics of small clusters

    Michael Hartmann;Jiřı́ Pittner;Vlasta Bonačić-Koutecký;Andreas Heidenreich

  • Quantum computing applied to calculations of molecular energies: CH2 benchmark.

    Libor Veis;Jiří Pittner

  • Quantum molecular interpretation of the absorption spectra of Na5, Na6, and Na7 clusters

    V. Bonačić‐Koutecký;J. Pittner;C. Scheuch;M. F. Guest

  • Ab initio study of structural and optical response properties of excess-electron lithium-hydride and sodium-fluoride clusters

    V. Bonačić-Koutecký;J. Pittner;J. Koutecký

  • Multireference Mukherjee's coupled cluster method with triexcitations in the linked formulation: Efficient implementation and applications.

    Kiran Bhaskaran-Nair;Ondřej Demel;Jiří Pittner

Frequent Co-Authors

Vlasta Bonačić-Koutecký
Vlasta Bonačić-Koutecký University of Split
Piercarlo Fantucci
Piercarlo Fantucci University of Milano-Bicocca
Hans Lischka
Hans Lischka Texas Tech University
Pavel Hobza
Pavel Hobza Czech Academy of Sciences
Frank Neese
Frank Neese Max Planck Society
Roland Mitrić
Roland Mitrić University of Würzburg
Mario Barbatti
Mario Barbatti Aix-Marseille University
Adelia J. A. Aquino
Adelia J. A. Aquino Texas Tech University
Josef Paldus
Josef Paldus University of Waterloo
Joshua Jortner
Joshua Jortner Tel Aviv University

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