Elke Pahl - Dissemin

All papers authored by Elke Pahl

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2022 Mingrui Yang

, Matija Čufar

, Elke Pahl

, Joachim Brand

Polaron-Depleton Transition in the Yrast Excitations of a One-Dimensional Bose Gas with a Mobile Impurity

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2020 Antony Burrows

, Shaun Cooper

, Elke Pahl

, Peter Schwerdtfeger

Analytical methods for fast converging lattice sums for cubic and hexagonal close-packed structures

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Mingrui Yang

, Elke Pahl

, Joachim Brand

Improved walker population control for full configuration interaction quantum Monte Carlo

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2018 Odile R. Smits

, Paul Jerabek

, Elke Pahl

, Peter Schwerdtfeger

A Hundred-Year-Old Experiment Re-evaluated: Accurate Ab Initio Monte Carlo Simulations of the Melting of Radon

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Odile R. Smits

, Paul Jerabek

, Elke Pahl

, Peter Schwerdtfeger

Ein hundert Jahre altes Experiment auf dem Prüfstand: hochgenaue Ab-Initio-Monte-Carlo-Schmelzsimulationen von Radon

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2017 Paul Jerabek, Odile Smits, Elke Pahl

, Peter Schwerdtfeger

A relativistic coupled-cluster interaction potential and rovibrational constants for the xenon dimer

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Peter Schwerdtfeger, Krista G. Steenbergen, Elke Pahl

Relativistic coupled-cluster and density-functional studies of argon at high pressure

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Krista G. Steenbergen

, Elke Pahl

, Peter Schwerdtfeger

Accurate, Large-Scale Density Functional Melting of Hg: Relativistic Effects Decrease Melting Temperature by 160 K

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K. G. Steenbergen

, J.-M. Mewes

, L. F. Pašteka

, H. W. Gäggeler, G. Kresse

, E. Pahl

, P. Schwerdtfeger

The cohesive energy of superheavy element copernicium determined from accurate relativistic coupled-cluster theory

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2016 Peter Schwerdtfeger, Ralf Tonner

, Gloria E. Moyano, Elke Pahl

Towards J/mol Accuracy for the Cohesive Energy of Solid Argon

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2015 F. Senn, J. Wiebke, P. Schwerdtfeger, E. Pahl

Long-range contributions for the use of truncated pair potentials of molecular systems - Application to nitrogen N2

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2014 Bundet Boekfa, Elke Pahl

, Nicola Gaston, Hidehiro Sakurai, Jumras Limtrakul, Masahiro Ehara

C–Cl Bond Activation on Au/Pd Bimetallic Nanocatalysts Studied by Density Functional Theory and Genetic Algorithm Calculations

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Jonas Wiebke, Michael Wormit, Robert Hellmann, Elke Pahl

, Peter Schwerdtfeger

Can an Ab-Initio Three-Body Virial Equation Describe the Mercury Gas Phase?

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2013 Florian Senn, Jonas Wiebke, Ole Schumann, Sebastian Gohr, Peter Schwerdtfeger, Elke Pahl

Melting of "non-magic" argon clusters and extrapolation to the bulk limit

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Jonas Wiebke, Elke Pahl

, Peter Schwerdtfeger

Melting at High Pressure: Can First-Principles Computational Chemistry Challenge Diamond-Anvil Cell Experiments?

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Florent Calvo, Elke Pahl

, Michael Wormit, Peter Schwerdtfeger

Evidence for Low-Temperature Melting of Mercury owing to Relativity

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Jonas Wiebke, Florian Senn, Elke Pahl

, Peter Schwerdtfeger

Communication: Ab initio Joule-Thomson inversion data for argon

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2012 Jonas Wiebke, Elke Pahl

, Peter Schwerdtfeger

Sensitivity of the thermal and acoustic virial coefficients of argon to the argon interaction potential

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Jonas Wiebke, Elke Pahl

, Peter Schwerdtfeger

Up to fourth virial coefficients from simple and efficient internal-coordinate sampling: Application to neon

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Florent Calvo, E. Pahl

, P. Schwerdtfeger, Fernand Spiegelman

Diatomics-in-Molecules Modeling of Many-Body Effects on the Structure and Thermodynamics of Mercury Clusters

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All papers authored by Elke Pahl