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Journal of Chemical Theory and Computation
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September 19, 2017
Benchmark of Dynamic Electron Correlation Models for Seniority-Zero Wave Functions and Their Application to Thermochemistry
Katharina Boguslawski, Paweł Tecmer
Physical Chemistry Chemical Physics : PCCP
|
September 23, 2022
Geminal-based electronic structure methods in quantum chemistry. Toward a geminal model chemistry
Paweł Tecmer, Katharina Boguslawski
Physical Chemistry Chemical Physics : PCCP
|
September 6, 2018
Electron correlation effects of the ThO and ThS molecules in the spinor basis. A relativistic coupled cluster study of ground and excited states properties
Paweł Tecmer, Cristina E González-Espinoza
Journal of Chemical Theory and Computation
|
March 13, 2026
Ionization Potentials at Mean-Field Computational Cost: The Extended Koopmans' Framework for pCCD
Seyedehdelaram Jahani, Katharina Boguslawski, Paweł Tecmer
Journal of Chemical Theory and Computation
|
November 20, 2024
Linear Response pCCD-Based Methods: LR-pCCD and LR-pCCD+S Approaches for the Efficient and Reliable Modeling of Excited State Properties
Somayeh Ahmadkhani, Katharina Boguslawski, Paweł Tecmer
Physical Chemistry Chemical Physics : PCCP
|
September 14, 2023
Static embedding with pair coupled cluster doubles based methods
Rahul Chakraborty, Katharina Boguslawski, Paweł Tecmer
Optics Express
|
April 6, 2021
Multi-reference ab initio calculations of Hg spectral data and analysis of magic and zero-magic wavelengths
Anahit Gogyan, Paweł Tecmer, Michał Zawada
Physical Chemistry Chemical Physics : PCCP
|
August 31, 2019
Assessing the accuracy of simplified coupled cluster methods for electronic excited states in f0 actinide compounds
Artur Nowak, Paweł Tecmer, Katharina Boguslawski
The Journal of Physical Chemistry. A
|
December 12, 2024
Exploring Electron Affinities, LUMO Energies, and Band Gaps with Electron-Pair Theories
Marta Gałyńska, Paweł Tecmer, Katharina Boguslawski
RSC Advances
|
September 22, 2023
The relationship between structure and excited-state properties in polyanilines from geminal-based methods
Seyedehdelaram Jahani, Katharina Boguslawski, Paweł Tecmer
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of 4
Search research articles
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Showing results (1-10 of 40) with videos related to
Sort By:
Page
of 4
Journal of Chemical Theory and Computation
|
September 19, 2017
Benchmark of Dynamic Electron Correlation Models for Seniority-Zero Wave Functions and Their Application to Thermochemistry
Katharina Boguslawski, Paweł Tecmer
Physical Chemistry Chemical Physics : PCCP
|
September 23, 2022
Geminal-based electronic structure methods in quantum chemistry. Toward a geminal model chemistry
Paweł Tecmer, Katharina Boguslawski
Physical Chemistry Chemical Physics : PCCP
|
September 6, 2018
Electron correlation effects of the ThO and ThS molecules in the spinor basis. A relativistic coupled cluster study of ground and excited states properties
Paweł Tecmer, Cristina E González-Espinoza
Journal of Chemical Theory and Computation
|
March 13, 2026
Ionization Potentials at Mean-Field Computational Cost: The Extended Koopmans' Framework for pCCD
Seyedehdelaram Jahani, Katharina Boguslawski, Paweł Tecmer
Journal of Chemical Theory and Computation
|
November 20, 2024
Linear Response pCCD-Based Methods: LR-pCCD and LR-pCCD+S Approaches for the Efficient and Reliable Modeling of Excited State Properties
Somayeh Ahmadkhani, Katharina Boguslawski, Paweł Tecmer
Physical Chemistry Chemical Physics : PCCP
|
September 14, 2023
Static embedding with pair coupled cluster doubles based methods
Rahul Chakraborty, Katharina Boguslawski, Paweł Tecmer
Optics Express
|
April 6, 2021
Multi-reference ab initio calculations of Hg spectral data and analysis of magic and zero-magic wavelengths
Anahit Gogyan, Paweł Tecmer, Michał Zawada
Physical Chemistry Chemical Physics : PCCP
|
August 31, 2019
Assessing the accuracy of simplified coupled cluster methods for electronic excited states in f0 actinide compounds
Artur Nowak, Paweł Tecmer, Katharina Boguslawski
The Journal of Physical Chemistry. A
|
December 12, 2024
Exploring Electron Affinities, LUMO Energies, and Band Gaps with Electron-Pair Theories
Marta Gałyńska, Paweł Tecmer, Katharina Boguslawski
RSC Advances
|
September 22, 2023
The relationship between structure and excited-state properties in polyanilines from geminal-based methods
Seyedehdelaram Jahani, Katharina Boguslawski, Paweł Tecmer
Page
of 4