List of works - Michał Lesiuk

A straightforward a posteriori method for reduction of density-fitting error in coupled-cluster calculations

scientific article published on 01 January 2020

Ab initio Potential Energy Curve for the Ground State of Beryllium Dimer

scientific article published on 13 March 2019

Analysis of QED and non-adiabaticity effects on the rovibrational spectrum of H3 + using geometry-dependent effective nuclear masses

scientific article published on 01 March 2020

Calculation of the molecular integrals with the range-separated correlation factor ⬇️

scientific article published on 01 March 2015

Complete Basis Set Extrapolation of Electronic Correlation Energies Using the Riemann Zeta Function

scientific article published on 27 September 2019

Efficient singular-value decomposition of the coupled-cluster triple excitation amplitudes

scientific article published on 20 February 2019

Explicitly Correlated Electronic Structure Calculations with Transcorrelated Matrix Product Operators

scientific article published on 06 June 2022

Exploring Chemical Space with Alchemical Derivatives: BN-Simultaneous Substitution Patterns in C60.

scientific article

Exploring Chemical Space with the Alchemical Derivatives

scientific article published on 4 November 2013

Exploring chemical space with alchemical derivatives: alchemical transformations of H through Ar and their ions as a proof of concept

scientific article published on 01 November 2019

Implementation of the Coupled-Cluster Method with Single, Double, and Triple Excitations using Tensor Decompositions

scientific article published on 11 December 2019

Molecular electrostatic potential at the atomic sites in the effective core potential approximation ⬇️

scientific article published on February 21, 2013

Near-Exact CCSDT Energetics from Rank-Reduced Formalism Supplemented by Non-iterative Corrections

scientific article published on 03 December 2021

On the large interelectronic distance behavior of the correlation factor for explicitly correlated wave functions

scientific article published in October 2013

Reactions of ZnR2 compounds with dibenzoyl: characterisation of the alkyl-transfer products and a striking product-inhibition effect

scientific article published on 28 September 2011

Reexamination of the calculation of two-center, two-electron integrals over Slater-type orbitals. I. Coulomb and hybrid integrals. ⬇️

scientific article published on 29 December 2014

Reexamination of the calculation of two-center, two-electron integrals over Slater-type orbitals. II. Neumann expansion of the exchange integrals ⬇️