A non-decomposable approximation on the complete density function space for the non-additive kinetic potential

On the Correlation Potential in Frozen-Density Embedding Theory

(2020) Tomasz A. Wesolowski   Journal of Chemical Theory and Computation

New Basis Set Exchange: An Open, Up-to-Date Resource for the Molecular Sciences Community

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Nonlocal Subsystem Density Functional Theory

(2019) Wenhui Mi et al.   Journal of Physical Chemistry Letters

Nonlocal kinetic energy functionals by functional integration

(2018) Wenhui Mi et al.   JOURNAL OF CHEMICAL PHYSICS

Constructing a non-additive non-interacting kinetic energy functional approximation for covalent bonds from exact conditions

(2018) Kaili Jiang et al.   JOURNAL OF CHEMICAL PHYSICS

Py SCF: the Python-based simulations of chemistry framework

(2017) Qiming Sun et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

Derivation of von Weizsäcker Equation Based οn Green-Gauss Theorem

(2016) Z. Romanowski et al.   ACTA PHYSICA POLONICA A

Frozen-Density Embedding Strategy for Multilevel Simulations of Electronic Structure

(2015) Tomasz A. Wesolowski et al.   CHEMICAL REVIEWS

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

(2015) Alexander Zech et al.   MOLECULAR PHYSICS

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

(2009) Katarzyna Pernal et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Performance of Kinetic Energy Functionals for Interaction Energies in a Subsystem Formulation of Density Functional Theory

(2009) Andreas W. Götz et al.   Journal of Chemical Theory and Computation

Orbital-free effective embedding potential at nuclear cusps

(2008) Juan Maria Garcia Lastra et al.   JOURNAL OF CHEMICAL PHYSICS

Embedding a multideterminantal wave function in an orbital-free environment

(2008) Tomasz A. Wesołowski   PHYSICAL REVIEW A