Tomasz Adam Wesolowski

发表

Adaptive grid technique for computer simulations of condensed matter using orbital-free embedding formalism

Marcin Dulak, Tomasz Adam Wesolowski, 2005 .

Calculations of chemical processes in solution by density-functional and other quantum-mechanical techniques

Arieh Warshel, Tomasz Adam Wesolowski, Richard P. Muller, 1997 .

Spin-densities in charge-transfer complexes derived from DFT calculations using an orbital-free embedding scheme for interacting subsystems

Tomasz Adam Wesolowski, Jacques Weber, 2002 .

Study of Mn2+-doped fluoroperovskites by means of the Kohn-Sham Constrained Electron Density embedding formalism

Tomasz Adam Wesolowski, J. A. Aramburu, Maria-Jose Moreno, 2005 .

Accuracy of approximate kinetic energy functionals in the model of Kohn–Sham equations with constrained electron density: The FH⋅⋅⋅NCH complex as a test case

Jacques Weber, Tomasz Adam Wesolowski, Henry Chermette, 1996 .

Homogeneity properties of the embedding potential in frozen-density embedding theory

Francesco Aquilante, Alexander Zech, Tomasz Adam Wesolowski, 2016 .

Kohn-Sham equations with constrained electron density: an iterative evaluation of the ground-state electron density of interacting molecules

Jacques Weber, Tomasz Adam Wesolowski, T. Wesołowski, 1996 .

Ab-initio Frozen Density Functional Calculations of Proton Transfer Reactions in Solution

Arieh Warshel, Tomasz Adam Wesolowski, Richard P. Muller, 1996 .

Generalization of the Kohn–Sham equations with constrained electron density formalism and its time‐dependent response theory formulation

Tomasz Adam Wesolowski, Mark E. Casida, T. Wesołowski, 2004 .

Embedding vs Supermolecular Strategies in Evaluating the Hydrogen-Bonding-Induced Shifts of Excitation Energies

Tomasz Adam Wesolowski, Piotr Piecuch, Jesse J. Lutz, 2011 .

Comparative Study of Benzene···X (X = O2, N2, CO) Complexes Using Density Functional Theory: The Importance of an Accurate Exchange−Correlation Energy Density at High Reduced Density Gradients

Jacques Weber, Olivier Parisel, Tomasz Adam Wesolowski, 1997 .

Physisorption of Molecular Hydrogen on Polycyclic Aromatic Hydrocarbons: A Theoretical Study

Jacques Weber, Tomasz Adam Wesolowski, Fabien Tran, 2002 .

Ab Initio Free Energy Perturbation Calculations of Solvation Free Energy Using the Frozen Density Functional Approach

Arieh Warshel, Tomasz Adam Wesolowski, A. Warshel, 1994 .

Embedding a multideterminantal wave function in an orbital-free environment

Tomasz Adam Wesolowski, T. Wesołowski, 2008 .

Link between the Kinetic- and Exchange-Energy Functionals in the Generalized Gradient Approximation

Tomasz Adam Wesolowski, Fabien Tran, T. Wesołowski, 2002 .

Orbital-free effective embedding potential: Density-matrix functional theory case

Tomasz Adam Wesolowski, Katarzyna Pernal, 2009 .