M. Wormit

发表

Investigating excited electronic states using the algebraic diagrammatic construction (ADC) approach of the polarisation propagator

A. Dreuw, E. Epifanovsky, M. Wormit, 2014 .

Can an ab initio three-body virial equation describe the mercury gas phase?

P. Schwerdtfeger, M. Wormit, R. Hellmann, 2014, The journal of physical chemistry. B.

Advances in molecular quantum chemistry contained in the Q-Chem 4 program package

Alán Aspuru-Guzik, Michael W. Schmidt, Yan Zhao, 2014, Molecular Physics.

A fresh look at the photoelectron spectrum of bromobenzene: A third-order non-Dyson electron propagator study.

A. Dreuw, I. Powis, D. Holland, 2015, The Journal of chemical physics.

Ultrafast charge separation driven by differential particle and hole mobilities.

A. Dutoi, L. Cederbaum, M. Wormit, 2011, The Journal of chemical physics.

Calculating X-ray Absorption Spectra of Open-Shell Molecules with the Unrestricted Algebraic-Diagrammatic Construction Scheme for the Polarization Propagator.

Andreas Dreuw, Jan Wenzel, Michael Wormit, 2014, Journal of chemical theory and computation.

Calculations of nonlinear response properties using the intermediate state representation and the algebraic-diagrammatic construction polarization propagator approach: two-photon absorption spectra.

A. Dreuw, M. Wormit, D. Rehn, 2012, The Journal of chemical physics.

Experimental benchmark data and systematic evaluation of two a posteriori, polarizable-continuum corrections for vertical excitation energies in solution.

J. Herbert, A. Dreuw, M. Wormit, 2015, The journal of physical chemistry. A.

Strong enhancement of parity violation effects in chiral uranium compounds.

P. Schwerdtfeger, M. Wormit, T. Saue, 2014, Physical chemistry chemical physics : PCCP.

Exciton analysis of many-body wave functions: Bridging the gap between the quasiparticle and molecular orbital pictures

Andreas Dreuw, Felix Plasser, Michael Wormit, 2014 .

Unrestricted algebraic diagrammatic construction scheme of second order for the calculation of excited states of medium-sized and large molecules.

Andreas Dreuw, Jan Hendrik Starcke, Michael Wormit, 2009, The Journal of chemical physics.

How much double excitation character do the lowest excited states of linear polyenes have

Andreas Dreuw, Jan Hendrik Starcke, Michael Wormit, 2006 .

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

Andreas Dreuw, Felix Plasser, Michael Wormit, 2014, The Journal of chemical physics.

A study of the excited electronic states of normal and fully deuterated furan by photoabsorption spectroscopy and high-level ab initio calculations

Andreas Dreuw, Denis Joyeux, Tatiana Korona, 2015 .

Evidence for low-temperature melting of mercury owing to relativity.

F. Calvo, P. Schwerdtfeger, M. Wormit, 2013, Angewandte Chemie.

The algebraic diagrammatic construction scheme for the polarization propagator for the calculation of excited states

Andreas Dreuw, Michael Wormit, A. Dreuw, 2015 .

Statistical analysis of electronic excitation processes: Spatial location, compactness, charge transfer, and electron‐hole correlation

Andreas Dreuw, Dirk R. Rehn, Jan Wenzel, 2015, J. Comput. Chem..

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

Andreas Dreuw, Felix Plasser, Michael Wormit, 2014, The Journal of chemical physics.

The low-lying excited states of neutral polyacenes and their radical cations: a quantum chemical study employing the algebraic diagrammatic construction scheme of second order

Andreas Dreuw, Jan Hendrik Starcke, Michael Wormit, 2010 .

New implementation of high‐level correlated methods using a general block tensor library for high‐performance electronic structure calculations

Evgeny Epifanovsky, Anna I. Krylov, Andreas Dreuw, 2013, J. Comput. Chem..

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

Andreas Dreuw, Jan Wenzel, Michael Wormit, 2015, The Journal of chemical physics.

Calculating core‐level excitations and x‐ray absorption spectra of medium‐sized closed‐shell molecules with the algebraic‐diagrammatic construction scheme for the polarization propagator

Andreas Dreuw, Jan Wenzel, Michael Wormit, 2014, J. Comput. Chem..

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

Andreas Dreuw, Michael Wormit, A. Dreuw, 2014, The Journal of chemical physics.

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

A. Dreuw, M. Wormit, Daniel Lefrancois, 2015, The Journal of chemical physics.

Development and Application of Reliable Methods for the Calculation of Excited States: From Light-Harvesting Complexes to Medium-Sized Molecules

M. Wormit, 2009 .

Excitation energy transfer and carotenoid radical cation formation in light harvesting complexes - a theoretical perspective.

A. Dreuw, J. Wachtveitl, M. Wormit, 2009, Biochimica et biophysica acta.

An Additive Long-range Potential to Correct for the Charge-transfer Failure of Time-dependent Density Functional Theory

M. Head‐Gordon, A. Dutoi, A. Dreuw, 2010 .

Simple replacement of violaxanthin by zeaxanthin in LHC-II does not cause chlorophyll fluorescence quenching.

A. Dreuw, M. Wormit, 2008, Journal of inorganic biochemistry.

Advances in molecular quantum chemistry contained in the Q-Chem 4 program package

Michael W. Schmidt, Shawn T. Brown, Igor Ying Zhang, 2014, Molecular Physics.

Ultrafast charge separation driven by differential particle and hole mobilities.

A. Dutoi, L. Cederbaum, M. Wormit, 2011, The Journal of chemical physics.

Quantum chemical excited state calculations on pigment–protein complexes require thorough geometry re-optimization of experimental crystal structures

A. Dreuw, M. Wormit, P. Harbach, 2010 .

Tracing molecular electronic excitation dynamics in real time and space.

A. Dutoi, L. Cederbaum, A. Dreuw, 2010, The Journal of chemical physics.

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

A. Dreuw, M. Wormit, J. Wenzel, 2015, The Journal of chemical physics.

Calculating X-ray Absorption Spectra of Open-Shell Molecules with the Unrestricted Algebraic-Diagrammatic Construction Scheme for the Polarization Propagator.

A. Dreuw, M. Wormit, J. Wenzel, 2014, Journal of chemical theory and computation.

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

F. Plasser, A. Dreuw, M. Wormit, 2014, The Journal of chemical physics.

Nature of the lowest excited states of neutral polyenyl radicals and polyene radical cations.

Andreas Dreuw, Jan Hendrik Starcke, Michael Wormit, 2009, The Journal of chemical physics.