141 citations · 505 across the 9 of their papers we have counts for
9 papers
New insights into the 1D carbon chain through the RPA
Benjamin Ramberger, Georg Kresse
We investigated the electronic and structural properties of the infinite linear carbon chain (carbyne) using density functional theory (DFT) and the random phase approximation (RPA…
RPA natural orbitals and their application to post-Hartree-Fock electronic structure methods
Benjamin Ramberger, Zoran Sukurma, Tobias Schäfer +1
We present a method to approximate post-Hartree-Fock correlation energies by using approximate natural orbitals obtained by the random phase approximation (RPA). We demonstrate the…
On the physisorption of water on graphene: Sub-chemical accuracy from many-body electronic structure methods
Jan Gerit Brandenburg, Andrea Zen, Martin Fitzner +6
Molecular adsorption on surfaces plays a central role in catalysis, corrosion, desalination, and many other processes of relevance to industry and the natural world. Few adsorption…
Laplace transformed MP2 for three dimensional periodic materials using stochastic orbitals in the plane wave basis and correlated sampling
Tobias Schäfer, Benjamin Ramberger, Georg Kresse
We present an implementation and analysis of a stochastic high performance algorithm to calculate the correlation energy of three dimensional periodic systems in second-order Mølle…
Adsorption energies of benzene on close packed transition metal surfaces using the random phase approximation
J. A. Garrido Torres, B. Ramberger, H. Früchtl +2
The adsorption energy of benzene on various metal substrates is predicted using the random phase approximation (RPA) for the correlation energy. Agreement with available experiment…
Assessing density functionals using many body theory for hybrid perovskites
Menno Bokdam, Jonathan Lahnsteiner, Benjamin Ramberger +2
Which density functional is the "best" for structure simulations of a particular material? A concise, first principles, approach to answer this question is presented. The random ph…