Libor Veis
0000-0002-4229-6335
10 papers found
Refreshing results…
Highly entangled polyradical nanographene with coexisting strong correlation and topological frustration
Hilbert space multireference coupled cluster tailored by matrix product states
The Effect of Geometry, Spin, and Orbital Optimization in Achieving Accurate, Correlated Results for Iron–Sulfur Cubanes
Unravelling the Open-Shell Character of Peripentacene on Au(111)
On-Surface Synthesis and Characterization of [7]Triangulene Quantum Ring
On-Surface Hydrogenation of Buckybowls: From Curved Aromatic Molecules to Planar Non-Kekulé Aromatic Hydrocarbons
Near-Linear Scaling in DMRG-Based Tailored Coupled Clusters: An Implementation of DLPNO-TCCSD and DLPNO-TCCSD(T)
Ground state of the Fe(ii)-porphyrin model system corresponds to quintet: a DFT and DMRG-based tailored CC study
Capturing the Dynamic Correlation for Arbitrary Spin-Symmetry CASSCF Reference with Adiabatic Connection Approaches: Insights into the Electronic Structure of the Tetramethyleneethane Diradical
Numerical and Theoretical Aspects of the DMRG-TCC Method Exemplified by the Nitrogen Dimer
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