Dreuw A - 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: dreuw a. J Chem Phys. 2019 Mar 28;150(12):121101. doi: 10.1063/1.5089233. J Chem Phys. 2019. PMID: 30927882

2

Theoretical description of charge migration with a single Slater-determinant and beyond.

Kuleff AI, Dreuw A. Kuleff AI, et al. Among authors: dreuw a. J Chem Phys. 2009 Jan 21;130(3):034102. doi: 10.1063/1.3058899. J Chem Phys. 2009. PMID: 19173505

3

A quantitative quantum-chemical analysis tool for the distribution of mechanical force in molecules.

Stauch T, Dreuw A. Stauch T, et al. Among authors: dreuw a. J Chem Phys. 2014 Apr 7;140(13):134107. doi: 10.1063/1.4870334. J Chem Phys. 2014. PMID: 24712780

4

New tools for the systematic analysis and visualization of electronic excitations. I. Formalism.

Plasser F, Wormit M, Dreuw A. Plasser F, et al. Among authors: dreuw a. J Chem Phys. 2014 Jul 14;141(2):024106. doi: 10.1063/1.4885819. J Chem Phys. 2014. PMID: 25027998

5

New tools for the systematic analysis and visualization of electronic excitations. II. Applications.

Plasser F, Bäppler SA, Wormit M, Dreuw A. Plasser F, et al. Among authors: dreuw a. J Chem Phys. 2014 Jul 14;141(2):024107. doi: 10.1063/1.4885820. J Chem Phys. 2014. PMID: 25027999

6

The third-order algebraic diagrammatic construction method (ADC(3)) for the polarization propagator for closed-shell molecules: efficient implementation and benchmarking.

Harbach PH, Wormit M, Dreuw A. Harbach PH, et al. Among authors: dreuw a. J Chem Phys. 2014 Aug 14;141(6):064113. doi: 10.1063/1.4892418. J Chem Phys. 2014. PMID: 25134557

7

Plasmons in molecules: microscopic characterization based on orbital transitions and momentum conservation.

Krauter CM, Schirmer J, Jacob CR, Pernpointner M, Dreuw A. Krauter CM, et al. Among authors: dreuw a. J Chem Phys. 2014 Sep 14;141(10):104101. doi: 10.1063/1.4894266. J Chem Phys. 2014. PMID: 25217898

8

Analysis and comparison of CVS-ADC approaches up to third order for the calculation of core-excited states.

Wenzel J, Holzer A, Wormit M, Dreuw A. Wenzel J, et al. Among authors: dreuw a. J Chem Phys. 2015 Jun 7;142(21):214104. doi: 10.1063/1.4921841. J Chem Phys. 2015. PMID: 26049476

9

On the use of different coordinate systems in mechanochemical force analyses.

Stauch T, Dreuw A. Stauch T, et al. Among authors: dreuw a. J Chem Phys. 2015 Aug 21;143(7):074118. doi: 10.1063/1.4928973. J Chem Phys. 2015. PMID: 26298126

10

Adapting algebraic diagrammatic construction schemes for the polarization propagator to problems with multi-reference electronic ground states exploiting the spin-flip ansatz.

Lefrancois D, Wormit M, Dreuw A. Lefrancois D, et al. Among authors: dreuw a. J Chem Phys. 2015 Sep 28;143(12):124107. doi: 10.1063/1.4931653. J Chem Phys. 2015. PMID: 26428996

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