A further step towards the practical application of quantum computing in chemistry

por Veis, Libor
Publicado 2022

Projection-Based Density Matrix Renormalization Group in Density Functional Theory Embedding

por Beran, Pavel, Pernal, Katarzyna, Pavošević, Fabijan, Veis, Libor
Publicado 2023

The correlation theory of the chemical bond

por Szalay, Szilárd, Barcza, Gergely, Szilvási, Tibor, Veis, Libor, Legeza, Örs
Publicado 2017

Solving Coupled Cluster Equations by the Newton Krylov Method

por Yang, Chao, Brabec, Jiri, Veis, Libor, Williams-Young, David B., Kowalski, Karol
Publicado 2020

Efficient Adiabatic Connection Approach for Strongly Correlated Systems: Application to Singlet–Triplet Gaps of Biradicals

por Drwal, Daria, Beran, Pavel, Hapka, Michał, Modrzejewski, Marcin, Sokół, Adam, Veis, Libor, Pernal, Katarzyna
Publicado 2022

Role of Spin Polarization and Dynamic Correlation in Singlet–Triplet Gap Inversion of Heptazine Derivatives

por Drwal, Daria, Matousek, Mikulas, Golub, Pavlo, Tucholska, Aleksandra, Hapka, Michał, Brabec, Jiri, Veis, Libor, Pernal, Katarzyna
Publicado 2023

Numerical and Theoretical Aspects of the DMRG-TCC Method Exemplified by the Nitrogen Dimer

por Faulstich, Fabian M., Máté, Mihály, Laestadius, Andre, Csirik, Mihály András, Veis, Libor, Antalik, Andrej, Brabec, Jiří, Schneider, Reinhold, Pittner, Jiří, Kvaal, Simen, Legeza, Örs
Publicado 2019

Interplay between π-Conjugation and Exchange Magnetism in One-Dimensional Porphyrinoid Polymers

por Biswas, Kalyan, Urbani, Maxence, Sánchez-Grande, Ana, Soler-Polo, Diego, Lauwaet, Koen, Matěj, Adam, Mutombo, Pingo, Veis, Libor, Brabec, Jiri, Pernal, Katarzyna, Gallego, José M., Miranda, Rodolfo, Écija, David, Jelínek, Pavel, Torres, Tomás, Urgel, José I.
Publicado 2022