<i>Ab initio</i>molecular dynamics for liquid metals
We present ab initio quantum-mechanical molecular-dynamics calculations based on the calculation of the electronic ground state and of the Hellmann-Feynman forces in the local-d...
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34 publications
<i>Planck</i> 2018 results
We present cosmological parameter results from the final full-mission Planck measurements of the cosmic microwave background (CMB) anisotropies, combining information from the t...
Fourth universal definition of myocardial infarction (2018)
Kristian Thygesen∗ (Denmark) Joseph S. Alpert∗ (USA) Allan S. Jaffe (USA) Bernard R. Chaitman (USA) Jeroen J. Bax (The Netherlands) David A. Morrow (USA) Harvey D. White∗ ...
Assessing Measurement Invariance in Cross‐National Consumer Research
Assessing the applicability of frameworks developed in one country to other countries is an important step in establishing the generalizability of consumer behavior theories. In...
The density functional formalism, its applications and prospects
A scheme that reduces the calculations of ground-state properties of systems of interacting particles exactly to the solution of single-particle Hartree-type equations has obvio...
Natural bond orbital analysis of near-Hartree–Fock water dimer
We have carried out a natural bond orbital analysis of hydrogen bonding in the water dimer for the near-Hartree–Fock wave function of Popkie, Kistenmacher, and Clementi, extendi...
Polarizable Atomic Multipole Water Model for Molecular Mechanics Simulation
A new classical empirical potential is proposed for water. The model uses a polarizable atomic multipole description of electrostatic interactions. Multipoles through the quadru...
Prediction of Mortality and Morbidity With a 6-Minute Walk Test in Patients With Left Ventricular Dysfunction
<h3>Objective.</h3> —To study the potential usefulness of the 6-minute walk test, a self-paced submaximal exercise test, as a prognostic indicator in patients with left ventricu...
Phonon-phonon interactions in transition metals
In this paper the phonon self energy produced by anharmonicity is calculated\nusing second order many body perturbation theory for all bcc, fcc and hcp\ntransition metals. The s...