Colloquium : Superheavy elements: Oganesson and beyond von Giuliani, S. A., Matheson, Z., Nazarewicz, W., Olsen, E., Reinhard, P.-G., Sadhukhan, J., Schuetrumpf, B., Schunck, N., Schwerdtfeger, P.

Volltext

Relativistic Coupled Cluster Calculations with Variational Quantum Electrodynamics Resolve the Discrepancy between Experiment and Theory Concerning the Electron Affinity and Ioniza... von Pašteka, L F, Eliav, E, Borschevsky, A, Kaldor, U, Schwerdtfeger, P

Volltext

A comparative density functional study of the low pressure phases of solid ZnX, CdX, and HgX: Trends and relativistic effects von Biering, S., Schwerdtfeger, P.

Volltext

A detailed analysis of the spin-crossover reaction of H2S binding to heme and the six-coordinated FeP(Im)-HS− porphyrin complex von Ostojić, B.D., Schwerdtfeger, P., Nakayama, A., Hasegawa, J., Đorđević, D.S.

Volltext

A comparative density functional study of the high-pressure phases of solid ZnX, CdX, and HgX (X = S, Se, and Te): trends and relativistic effects von Biering, S, Schwerdtfeger, P

Volltext

Resolving the optical spectrum of water: coordination and electrostatic effects von Hermann, A, Schmidt, W G, Schwerdtfeger, P

Volltext

Spin-orbit effects in optical spectra of gold-silver trimers von Shayeghi, A, Pašteka, L F, Götz, D A, Schwerdtfeger, P, Schäfer, R

Volltext

First-principles melting of krypton and xenon based on many-body relativistic coupled-cluster interaction potentials von Smits, O. R., Jerabek, P., Pahl, E., Schwerdtfeger, P.

Volltext

The cohesive energy of superheavy element copernicium determined from accurate relativistic coupled-cluster theory von Steenbergen, K. G, Mewes, J.-M, Pašteka, L. F, Gäggeler, H. W, Kresse, G, Pahl, E, Schwerdtfeger, P

Volltext

Modeling the hydrogen sulfide binding to heme von Ostojić, B.D., Schwerdtfeger, P., Đorđević, D.S.

Volltext

High-pressure transitions in bulk mercury: a density functional study von Biering, S., Schwerdtfeger, P.

Volltext

The Unusual Solid-State Structure of Mercury Oxide: Relativistic Density Functional Calculations for the Group 12 Oxides ZnO, CdO, and HgO von Biering, Susan, Hermann, Andreas, Furthmüller, Jürgen, Schwerdtfeger, P

Volltext

Can an Ab Initio Three-Body Virial Equation Describe the Mercury Gas Phase? von Wiebke, J, Wormit, M, Hellmann, R, Pahl, E, Schwerdtfeger, P

Volltext

Influence of spin-orbit effects on structures and dielectric properties of neutral lead clusters von Götz, D A, Shayeghi, A, Johnston, R L, Schwerdtfeger, P, Schäfer, R

Volltext

Diatomics-in-Molecules Modeling of Many-Body Effects on the Structure and Thermodynamics of Mercury Clusters von Calvo, F, Pahl, E, Schwerdtfeger, P, Spiegelman, F

Volltext

The Predicted Spectrum and Singlet–Triplet Interaction of the Hypermetallic Molecule SrOSr von Ostojić, B, Jensen, Per, Schwerdtfeger, P, Bunker, P. R

Volltext

The Madelung constant in N dimensions von Burrows, Antony, Cooper, Shaun, Schwerdtfeger, P.

Volltext

Gold Goes Nano-From Small Clusters to Low-Dimensional Assemblies von Schwerdtfeger, Peter

Volltext

Dependence of relativistic effects on electronic configuration in the neutral atoms of d- and f-block elements von Autschbach, J., Siekierski, S., Seth, M., Schwerdtfeger, P., Schwarz, W. H. E.

Volltext

Equation of state for solid neon from quantum theory von Schwerdtfeger, P., Hermann, Andreas

Volltext