List of works - Libor Veis

Ab initio calculations on the formation and rearrangement of spiropentane

scientific article published in October 2009

Adiabatic state preparation study of methylene ⬇️

scientific article published in June 2014

Advanced density matrix renormalization group method for nuclear structure calculations ⬇️

scholarly article

Capturing the Dynamic Correlation for Arbitrary Spin-Symmetry CASSCF Reference with Adiabatic Connection Approaches: Insights into the Electronic Structure of the Tetramethyleneethane Diradical

scientific article published on 05 August 2019

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

Coupled Cluster Study of Polycyclopentanes: Structure and Properties of C5H2n, n = 0-4

DMRG on Top of Plane-Wave Kohn–Sham Orbitals: A Case Study of Defected Boron Nitride

scientific article published on 15 January 2021

Density Matrix Renormalization Group with Dynamical Correlation via Adiabatic Connection

scientific article published on 11 November 2021

Fermionic Orbital Optimization in Tensor Network States ⬇️

scientific article published on 18 November 2016

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

scientific article published on 27 July 2020

Hückel–Hubbard–Ohno modeling of π-bonds in ethene and ethyne with application to trans-polyacetylene ⬇️

scientific article published on 27 June 2016

Low-depth circuit ansatz for preparing correlated fermionic states on a quantum computer

scientific article published on 2 September 2019

Machine Learning-Assisted Selection of Active Spaces for Strongly Correlated Transition Metal Systems

scientific article published on 27 September 2021

Massively parallel quantum chemical density matrix renormalization group method

scientific article published on 30 December 2020

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

scientific article published on 13 March 2019

On-Surface Synthesis and Characterization of [7]Triangulene Quantum Ring

scientific article published on 11 December 2020

On-line preconcentration of weak electrolytes by electrokinetic accumulation in CE: Experiment and simulation

scientific article published on 01 May 2007

Quantum Chemistry in the Age of Quantum Computing

scientific article published on 30 August 2019

Quantum Computing Approach to Nonrelativistic and Relativistic Molecular Energy Calculations

article published in 2014

Quantum chemistry beyond Born-Oppenheimer approximation on a quantum computer: A simulated phase estimation study

scholarly article by Libor Veis et al published 22 June 2016 in International Journal of Quantum Chemistry

Quantum computing applied to calculations of molecular energies: CH2 benchmark

scientific article published in November 2010

Quantum information-based analysis of electron-deficient bonds

scientific article published on 01 May 2019

Relativistic quantum chemistry on quantum computers

scholarly article by Libor Veis et al published 23 March 2012 in Physical Review A

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

scientific article published on 16 January 2022

The Intricate Case of Tetramethyleneethane: A Full Configuration Interaction Quantum Monte Carlo Benchmark and Multireference Coupled Cluster Studies

scientific article

The correlation theory of the chemical bond