Extension of the Lennard-Jones potential: Theoretical investigations into rare-gas clusters and crystal lattices of He, Ne, Ar, and Kr using many-body interaction expansions

Peter Schwerdtfeger, Nicola Gaston, Robert Krawczyk, +2

Physical Review B

Convergence of the many-body expansion of interaction potentials: From van der Waals to covalent and metallic systems

Andreas Hermann, Robert Krawczyk, Matthias Lein, +3

Physical Review A

EngineeringComputational ChemistryChemistryElectronic StructureVibronic Interaction +16

Photoinduced dynamics of the valence states of ethene: A six-dimensional potential-energy surface of three electronic states with several conical intersections

Robert Krawczyk, Alexandra Viel, Uwe Manthe, +1

The Journal of Chemical Physics

Localized Excited StateEngineeringExcitation Energy TransferComputational ChemistryChemistry +15

1–2 conical intersection in trans-butadiene: ultrafast dynamics and optical spectra

Robert Krawczyk, Karsten Malsch, Georg Hohlneicher, +2

Chemical Physics Letters

Excited State PropertyConical IntersectionEngineeringPhysicsOptical Properties +11

Photoinduced dynamics of ethene in the N, V, and Z valence states: A six-dimensional nonadiabatic quantum dynamics investigation

Alexandra Viel, Robert Krawczyk, Uwe Manthe, +1

The Journal of Chemical Physics

Localized Excited StateEngineeringExcitation Energy TransferComputational ChemistryChemistry +17

Agenesis of Corpus Callosum: Clinical Description and Etiology

Elżbieta Marszał, Ewa Jamroz, Jacek Pilch, +3

Journal of Child Neurology

Neurological DisorderPathologyAnatomyCorpus CallosumMagnetic Resonance Imaging +16

A Comparison of Structure and Stability between the Group 11 Halide Tetramers M₄X₄ (M = Cu, Ag, or Au; X = F, Cl, Br, or I) and the Group 11 Chloride and Bromide Phosphanes (XMPH₃)₄

Peter Schwerdtfeger, Robert Krawczyk, A. Hammerl, +1

Inorganic Chemistry

Materials ScienceInorganic ChemistryEngineeringGroup 11Coordination Complex +8

The Sudden‐Polarization Effect and its Role in the Ultrafast Photochemistry of Ethene

Alexandra Viel, Robert Krawczyk, Uwe Manthe, +1

Angewandte Chemie International Edition

EngineeringOrganic ChemistryChemistryElectronic Excited StateD2d Symmetry Results +15

Theoretical investigation of Jahn–Teller and pseudo-Jahn–Teller interactions in the ammonia cation

Clemens Woywod, Sandra Scharfe, Robert Krawczyk, +2

The Journal of Chemical Physics

EngineeringComputational ChemistryChemistryElectronic Excited StateMolecular Dynamics +17

The adsorption of CO on charged and neutral Au and Au2: A comparison between wave-function based and density functional theory

Peter Schwerdtfeger, Matthias Lein, Robert Krawczyk, +1

The Journal of Chemical Physics