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

Wiley interdisciplinary reviews. Computational molecular science, 2015-01, Vol.5 (1), p.82-95

2015

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

The Journal of chemical physics, 2014-07, Vol.141 (2), p.024106-024106

2014

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

The Journal of chemical physics, 2015-06, Vol.142 (21), p.214104-214104

2015

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

The Journal of chemical physics, 2014-07, Vol.141 (2), p.024107-024107

2014

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

Physical review. A, Atomic, molecular, and optical physics, 2014-11, Vol.90 (5), Article 052521

2014

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Experimental Benchmark Data and Systematic Evaluation of Two a Posteriori, Polarizable-Continuum Corrections for Vertical Excitation Energies in Solution

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2015-05, Vol.119 (21), p.5446-5464

2015

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

Journal of computational chemistry, 2015-08, Vol.36 (21), p.1609-1620

2015

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

Journal of computational chemistry, 2013-10, Vol.34 (26), p.2293-2309

2013

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

Chemical physics, 2006-10, Vol.329 (1), p.39-49

2006

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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

Journal of computational chemistry, 2014-10, Vol.35 (26), p.1900-1915

2014

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Strong enhancement of parity violation effects in chiral uranium compounds

Physical chemistry chemical physics : PCCP, 2014-08, Vol.16 (32), p.17043-17051

2014

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

The Journal of chemical physics, 2009-10, Vol.131 (14), p.144311-144311-8

2009

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

Journal of chemical theory and computation, 2014-10, Vol.10 (10), p.4583-4598

2014

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

The Journal of chemical physics, 2014-08, Vol.141 (6), p.064113-064113

2014

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

The Journal of chemical physics, 2015-09, Vol.143 (12), p.124107-124107

2015

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Evidence for Low-Temperature Melting of Mercury owing to Relativity

Angewandte Chemie International Edition, 2013-07, Vol.52 (29), p.7583-7585

International ed. in English, 2013

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

The Journal of chemical physics, 2009-01, Vol.130 (2), p.024104-024104-10

2009

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

Molecular physics, 2014-03, Vol.112 (5-6), p.774-784

2014

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Quantum chemical insights in energy dissipation and carotenoid radical cation formation in light harvesting complexes

Physical chemistry chemical physics : PCCP, 2007-01, Vol.9 (23), p.2917-2931

2007

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

Journal of inorganic biochemistry, 2008-03, Vol.102 (3), p.458-465

2008

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Carotenoid Radical Cation Formation in LH2 of Purple Bacteria: A Quantum Chemical Study

The journal of physical chemistry. B, 2006-11, Vol.110 (47), p.24200-24206

2006

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

The Journal of chemical physics, 2014-08, Vol.141 (6)

2014

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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

Molecular physics, 2010-10, Vol.108 (19-20), p.2801-2813

2010

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Cover Picture: Evidence for Low-Temperature Melting of Mercury owing to Relativity (Angew. Chem. Int. Ed. 29/2013)

Angewandte Chemie International Edition, 2013-07, Vol.52 (29), p.7323-7323

International ed. in English, 2013

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

Theoretical chemistry accounts, 2010-03, Vol.125 (3-6), p.419-426

2010

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

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

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

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

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

Experimental Benchmark Data and Systematic Evaluation of Two a Posteriori, Polarizable-Continuum Corrections for Vertical Excitation Energies in Solution

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

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

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

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

Strong enhancement of parity violation effects in chiral uranium compounds

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

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

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

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

Evidence for Low-Temperature Melting of Mercury owing to Relativity

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

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

Quantum chemical insights in energy dissipation and carotenoid radical cation formation in light harvesting complexes

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

Carotenoid Radical Cation Formation in LH2 of Purple Bacteria: A Quantum Chemical Study

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

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

Cover Picture: Evidence for Low-Temperature Melting of Mercury owing to Relativity (Angew. Chem. Int. Ed. 29/2013)

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

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