Wesolowski TA - Search Results

1

Extension of frozen-density embedding theory for non-variational embedded wavefunctions.

Zech A, Dreuw A, Wesolowski TA. Zech A, et al. Among authors: wesolowski ta. J Chem Phys. 2019 Mar 28;150(12):121101. doi: 10.1063/1.5089233. J Chem Phys. 2019. PMID: 30927882

2

Modeling solvent effects on electron-spin-resonance hyperfine couplings by frozen-density embedding.

Neugebauer J, Louwerse MJ, Belanzoni P, Wesolowski TA, Baerends EJ. Neugebauer J, et al. Among authors: wesolowski ta. J Chem Phys. 2005 Sep 15;123(11):114101. doi: 10.1063/1.2033749. J Chem Phys. 2005. PMID: 16392545

3

Interaction energies in hydrogen-bonded systems: a testing ground for subsystem formulation of density-functional theory.

Kevorkyants R, Dulak M, Wesolowski TA. Kevorkyants R, et al. Among authors: wesolowski ta. J Chem Phys. 2006 Jan 14;124(2):024104. doi: 10.1063/1.2150820. J Chem Phys. 2006. PMID: 16422568

4

On the electron leak problem in orbital-free embedding calculations.

Dułak M, Wesołowski TA. Dułak M, et al. Among authors: wesolowski ta. J Chem Phys. 2006 Apr 28;124(16):164101. doi: 10.1063/1.2189228. J Chem Phys. 2006. PMID: 16674123

5

Orbital-free effective embedding potential at nuclear cusps.

Lastra JM, Kaminski JW, Wesolowski TA. Lastra JM, et al. Among authors: wesolowski ta. J Chem Phys. 2008 Aug 21;129(7):074107. doi: 10.1063/1.2969814. J Chem Phys. 2008. PMID: 19044760

6

Multi-scale modelling of solvatochromic shifts from frozen-density embedding theory with non-uniform continuum model of the solvent: the coumarin 153 case.

Zhou X, Kaminski JW, Wesolowski TA. Zhou X, et al. Among authors: wesolowski ta. Phys Chem Chem Phys. 2011 Jun 14;13(22):10565-76. doi: 10.1039/c0cp02874f. Epub 2011 May 13. Phys Chem Chem Phys. 2011. PMID: 21566844

7

Self-consistency in frozen-density embedding theory based calculations.

Aquilante F, Wesołowski TA. Aquilante F, et al. Among authors: wesolowski ta. J Chem Phys. 2011 Aug 28;135(8):084120. doi: 10.1063/1.3624888. J Chem Phys. 2011. PMID: 21895172

8

Exact non-additive kinetic potentials in realistic chemical systems.

de Silva P, Wesolowski TA. de Silva P, et al. Among authors: wesolowski ta. J Chem Phys. 2012 Sep 7;137(9):094110. doi: 10.1063/1.4749573. J Chem Phys. 2012. PMID: 22957558

9

Atomic shell structure from the Single-Exponential Decay Detector.

de Silva P, Korchowiec J, Wesolowski TA. de Silva P, et al. Among authors: wesolowski ta. J Chem Phys. 2014 Apr 28;140(16):164301. doi: 10.1063/1.4871501. J Chem Phys. 2014. PMID: 24784264

10

Embedding potentials for excited states of embedded species.

Wesolowski TA. Wesolowski TA. J Chem Phys. 2014 May 14;140(18):18A530. doi: 10.1063/1.4870014. J Chem Phys. 2014. PMID: 24832338

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