Mikuláš Matoušek

发表

On-Surface Mechanochemistry Synthesis of Non-Alternant Non-Benzenoid Aromatic Compounds Containing 4 to 8-Membered Rings

P. Jelínek, L. Veis, M. Kotora, 2020 .

Density Matrix Renormalization Group with Dynamical Correlation via Adiabatic Connection.

K. Pernal, P. Beran, L. Veis, 2021, Journal of chemical theory and computation.

The Effect of Geometry, Spin, and Orbital Optimization in Achieving Accurate, Correlated Results for Iron-Sulfur Cubanes.

David B. Williams-Young, N. Tubman, W. D. de Jong, 2021, Journal of chemical theory and computation.

The Effect of Geometry, Spin, and Orbital Optimization in Achieving Accurate, Correlated Results for IronSulfur Cubanes

David B. Williams-Young, N. Tubman, W. A. Jong, 2021 .

Achieving Accurate, Fully-Correlated Calculations for Iron-Sulfur Cubanes: The Effect of Geometry, Spin and Orbital Optimization

David B. Williams-Young, N. Tubman, W. A. Jong, 2021 .

Ground state of the Fe(ii)-porphyrin model system corresponds to quintet: a DFT and DMRG-based tailored CC study.

J. Pittner, D. Nachtigallová, P. Hobza, 2020, Physical chemistry chemical physics : PCCP.

Toward more accurate adiabatic connection approach for multireference wavefunctions.

K. Pernal, L. Veis, Michał Hapka, 2022, The Journal of chemical physics.

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

K. Pernal, L. Veis, Michał Hapka, 2023, Journal of chemical theory and computation.

Variational Quantum Eigensolver Boosted by Adiabatic Connection

K. Pernal, L. Veis, Fabijan Pavošević, 2023, The journal of physical chemistry. A.

On-Surface Strain-Driven Synthesis of Nonalternant Non-Benzenoid Aromatic Compounds Containing Four- to Eight-Membered Rings.

P. Jelínek, D. Nachtigallová, L. Veis, 2021, Journal of the American Chemical Society.

Polaritonic Chemistry Using the Density Matrix Renormalization Group Method

N. Govind, L. Veis, Mikuláš Matoušek, 2024, Journal of chemical theory and computation.