Publications
The list of our publications is given in reverse chronological order.
You can also view the publications at: We try to keep these profiles up to date at all times.
Preprints of most papers can be found on .
2024

V. Fishman, M. Lesiuk, J. M. L. Martin, A. D. Boese
A new angle on benchmarking noncovalent interactions
under review, preprint available on arXiv

M. Mörchen, A. Baiardi, M. Lesiuk, M. Reiher
Noniterative triples for transcorrelated coupled cluster
under review, preprint available on arXiv

G. Garberoglio, A. H. Harvey, J. Lang, M. Przybytek, M. Lesiuk, B. Jeziorski
Pathintegral calculation of the third dielectric virial coefficient of helium based on ab initio threebody polarizability and dipole surfaces
J. Chem. Phys. 161, 144111 (2024)

A. Kruk, M. Lesiuk, K. A. Meissner, H. Nicolai
Signatures of supermassive charged gravitinos in liquid scintillator detectors
under review, preprint available on arXiv

P. Michalak and M. Lesiuk
Rankreduced equationofmotion coupled cluster triples: an accurate and affordable way of calculating electronic excitation energies
J. Chem. Theory Comput. 20, 8970 (2024)

R. Feldmann, M. Mörchen, J. Lang, M. Lesiuk, M. Reiher
Complete active space iterative coupled cluster theory
J. Phys. Chem. A 128, 8615 (2024)

M. Lesiuk and B. Jeziorski
Diamagnetic susceptibility of neon and argon including leading relativistic effects
Phys. Rev. A 109, 012820 (2024)

J. Lang, M. Przybytek, M. Lesiuk
Thermophysical properties of argon gas from improved twobody interaction potential
Phys. Rev. A 109, 052803 (2024)
2023

M. Lesiuk and J. Lang
Atomic Bethe logarithm in the meanfield approximation
Phys. Rev. A 108, 042817 (2023)

M. Puchalski, M. Lesiuk, and B. Jeziorski
Relativistic treatment of the diamagnetic susceptibility of helium
Phys. Rev. A 108, 042812 (2023)

T. Rubin, I. Silander, C. Forssén, J. Zakrisson, E. Amer, D. Szabo, T. Bock, A. Kussicke, C. G\"{u}nz, D.
Mari, R.M. Gavioso, M. Pisani,
D. Madonna Ripa, Z. Silvestri, P. Gambette, D. Bentouati, G. Garberoglio, M. Lesiuk, M. Przybytek, B. Jeziorski, J. Setina, M. Zelan, O. Axner
Quantumbased realizations of the pascal: status and progress of the EMPIRproject: Quantum Pascal
Proceedings of Joint IMEKO TC3, T5, TC16 and TC22 International Conference (2023)

J. Lang, M. Przybytek, M. Lesiuk, and B. Jeziorski
Collisioninduced threebody polarizability of helium
J. Chem. Phys. 158, 114303 (2023)
Selected as JCP Editors' Pick. 
M. Lesiuk and B. Jeziorski
Firstprinciples calculation of the frequencydependent dipole polarizability of argon
Phys. Rev. A 107, 042805 (2023)
2022

M. Lesiuk
When Gold Is Not Enough: Platinum Standard of Quantum Chemistry with N^{7} Cost
J. Chem. Theory Comput. 18 (11), 6537 (2022) 
A. Baiardi, M. Lesiuk, M. Reiher
Explicitly correlated electronic structure calculations with transcorrelated matrix product operators
J. Chem. Theory Comput. 18 (7), 4203 (2022) 
A. M. Tucholska, M. Lesiuk, R. Moszynski
Spinorbit coupling matrix elements from the explicitly connected expressions of the response functions within the coupledcluster theory
Mol. Phys. L. Wolniewicz special issue, e2029965 (2022) 
M. Lesiuk
Quinticscaling rankreduced coupled cluster theory with single and double excitations
J. Chem. Phys. 156, 064103 (2022)
Published is part of the 2022 JCP Emerging Investigators Special Collection.
2021

M. Lesiuk
Nearexact CCSDT energetics from rankreduced formalism supplemented by noniterative corrections
J. Chem. Theory Comput. 17 (12), 7632 (2021)  A. P. Wozniak, M. Lesiuk, M. Przybytek, D. K. Efimov, J. S. PrauznerBechcicki, M. Mandrysz, M. Ciappina, E. Pisanty, J. Zakrzewski, M. Lewenstein, and R. Moszynski
A systematic construction of Gaussian basis sets for the description of laser field ionization and highharmonic generation
J. Chem. Phys. 154, 094111 (2021)  M. Lesiuk, M. Przybytek, and B. Jeziorski
Theoretical determination of polarizability and magnetic susceptibility of neon
Phys. Rev. A 102, 052816 (2020)
2020
 M. Lesiuk, M Musiał, R. Moszynski
Potentialenergy curve for the a^{3}Σ_{u}^{+} state of a lithium dimer with Slatertype orbitals
Phys. Rev. A 102, 062806 (2020) 
P. Czachorowski, M. Przybytek, M. Lesiuk, M. Puchalski, and B. Jeziorski
Second virial coefficients for ^{4}He and ^{3}He from an accurate relativistic interaction potential
Phys. Rev. A 102, 042810 (2020)  R. Jaquet and M. Lesiuk
Analysis of QED and nonadiabaticity effects on the rovibrational spectrum of H_{3}^{+} using geometrydependent effective nuclear masses
J. Chem. Phys. 152, 104109 (2020)  M. Puchalski, K. Szalewicz, M. Lesiuk, and B. Jeziorski
QED calculation of the dipole polarizability of helium atom
Phys. Rev. A 101, 022505 (2020)  M. Lesiuk
Implementation of the coupledcluster method with single, double, and triple excitations using tensor decompositions
J. Chem. Theory Comput. 16, 453 (2020)
Selected as American Chemical Society (ACS) Editors' Choice.  M. Lesiuk
A straightforward a posteriori method for reduction of densityfitting error in coupledcluster calculations
J. Chem. Phys. 152, 044104 (2020)
2019
 R. Balawender, M. Lesiuk, F. De Proft, C. Van Alsenoy, and P. Geerlings
Exploring Chemical Space with Alchemical Derivatives: Alchemical Transformations of H through Ar and its Ions as a Proof of Concept
Phys. Chem. Chem. Phys. 21, 23865 (2019)  M. Lesiuk and B. Jeziorski
Complete basis set extrapolation of electronic correlation energies using the Riemann zeta function
J. Chem. Theory Comput. 15, 5398 (2019)  M. Lesiuk and B. Jeziorski
Size consistency and counterpoise correction in explicitly correlated calculations of interaction energies and interactioninduced properties
Phys. Rev. A 99, 032712 (2019)  M. Lesiuk
Efficient singularvalue decomposition of the coupledcluster triple excitation amplitudes
J. Comp. Chem. 40, 1319 (2019)  M. Lesiuk, M. Przybytek, J. G. Balcerzak, M. Musial, and R. Moszynski
Ab initio potential energy curve for the ground state of beryllium dimer
J. Chem. Theory Comput. 15, 2470 (2019)  K. Amini at al.
Symphony on Strong Field Approximation
Rep. Prog. Phys. 82, 116001 (2019)
2018
 M. Przybytek and M. Lesiuk
Correlation energies for manyelectron atoms with explicitly correlated Slater functions
Phys. Rev. A 98, 062507 (2018)  R. Balawender, M. Lesiuk, F. De Proft, and P. Geerlings
Exploring Chemical Space with Alchemical Derivatives: BN Simultaneous Substitution Patterns in C_{60}
J. Chem. Theory Comput. 14, 1154 (2018)
2017
 J. G. Balcerzak, M. Lesiuk, and R. Moszynski
Calculation of ArakiSucher correction for manyelectron systems
Phys. Rev. A 96, 052510 (2017)  M. Lesiuk, A. Tucholska, and R. Moszynski
Combining Slatertype orbitals and effective core potentials
Phys. Rev. A 95, 052504 (2017)  A. Tucholska, M. Lesiuk, and R. Moszynski
Transition moments between excited electronic states from the Hermitian formulation of the coupled cluster quadratic response function
J. Chem. Phys. 146, 034108 (2017)
2016
 M. Lesiuk
Calculation of STOs electron repulsion integrals by ellipsoidal expansion and largeorder approximations
J. Math. Chem. 54, 572 (2016)
2015
 T. Grining, M. Tomza, M. Lesiuk, M. Przybytek, M. Musial, P. Massignan, M. Lewenstein, and R. Moszynski
Many interacting fermions in a onedimensional harmonic trap: a quantumchemical treatment
New J. Phys. 17, 115001 (2015)  T. Grining, M. Tomza, M. Lesiuk, M. Przybytek, M. Musial, R. Moszynski, M. Lewenstein, and P. Massignan
Crossover between few and many fermions in a harmonic trap
Phys. Rev. A 92, 061601R (2015)  M. Silkowski, M. Lesiuk, and R. Moszynski
Calculation of the molecular integrals with the rangeseparated correlation factor
J. Chem. Phys. 142, 124102 (2015)  M. Lesiuk, M. Przybytek, M. Musial, B. Jeziorski, and R. Moszynski
Calculation of twocentre twoelectron integrals over Slatertype orbitals revisited. III. Case study of the beryllium dimer
Phys. Rev. A 91, 012510 (2015)
2014 and earlier
 M. Lesiuk and R. Moszynski
Calculation of twocentre twoelectron integrals over Slatertype orbitals revisited. II. Neumann expansion of the exchange integrals
Phys. Rev. E 90, 063319 (2014)  M. Lesiuk and R. Moszynski
Calculation of twocentre twoelectron integrals over Slatertype orbitals revisited. I. Atomic, Coulomb and hybrid integrals
Phys. Rev. E 90, 063318 (2014)  M. Lesiuk, B. Jeziorski, and R. Moszynski
On the large interelectronic distance behavior of the correlation factor for explicitly correlated wave functions
J. Chem. Phys. 139, 134102 (2013)  R. Balawender, M. A. Welearegay, M. Lesiuk, F. De Proft, and P. Geerlings
Exploring chemical space with the alchemical derivatives
J. Chem. Theory Comput. 9, 5327 (2013)  M. Lesiuk and J. Zachara
Molecular electrostatic potential at the atomic sites in the presence of effective core potentials
J. Chem. Phys. 138, 074107 (2013)  M. Lesiuk and R. Moszynski
Analytical twocenter integrals over Slater geminal functions
Phys. Rev. A 86, 052513 (2012)  M. Modrzejewski, M. Lesiuk, Ł. Rajchel, M. M. Szczęśniak, and G. Chałasiński
A firstprinciplesbased correlation functional for harmonious connection of shortrange correlation and longrange dispersion
J. Chem. Phys. 137, 204121 (2012)  M. Lesiuk, R. Balawender, and J. Zachara
Higher order alchemical derivatives from coupled perturbed selfconsistent field theory
J. Chem. Phys. 136, 034104 (2012)  I. Dranka, M. Kubisiak, I. Justyniak, M. Lesiuk, D. Kubicki, and J. Lewiński
Reactions of ZnR_{2} compounds with dibenzoyl: characterisation of the alkyltransfer products and a striking productinhibition effect
Chem. Eur. J. 17, 12713 (2011)  J. Lewiński, M. Dutkiewicz, M. Lesiuk, W. Śliwiński, K. Zelga, I. Justyniak, and J. Lipkowski
Solidstate conversion of the solvated dimer [{tBuZn(μOtBu)(THF)}_{2}] into a long overlooked trimeric [{tBuZnOtBu}_{3}] species
Angew. Chem. Int. Ed. 49, 8266 (2010)
PhD theses
 M. Lesiuk
Analytical twocentre integrals in the basis set of Slatertype orbitals and explicitly correlated functions
defended with honours at Faculty of Chemistry, University of Warsaw (2018)
MSc theses
 P. Michalak
Tucker decomposition in calculation of excitation energies of molecular systems
defence planned for mid2023  M. Lesiuk
On the large interelectronic distance behaviour of the correlation factor for explicitly correlated wave functions
defended with honours at Faculty of Chemistry, University of Warsaw (2013)
BSc theses
 D. Nowel
Theoretical study of the effect of chemical environment on efficiency of electron capture in beryllium compounds
defended at Faculty of Chemistry, University of Warsaw (2021)