311 citations · 698 across the 19 of their papers we have counts for
21 papers
Quantum many-body effects in the optical response of ideal thin films
David Trejo-Garcia, Tapio T. Rantala, Marco Ornigotti +1
We study quantum many-body effects in the long-wavelength optical response of confined electrons at finite temperatures. We simulate homogeneous electron gas confined in one dimens…
Path-integral Monte Carlo estimator for the dipole polarizability of quantum plasma
Juha Tiihonen, David Trejo-Garcia, Tapio T. Rantala +1
We present a path-integral Monte Carlo estimator for calculating the dipole polarizability of interacting Coulomb plasma in the long-wavelength limit, i.e., the optical region. We…
Electronic Structure Calculation with the Exact Pseudopotential and Interpolating Wavelet Basis
Tommi Höynälänmaa, Tapio Rantala
Electronic structure calculations are mostly carried out with Coulomb potential singularity adapted basis sets like STO or contracted GTO. With other basis or for heavy elements th…
Path Integrals: From Quantum Mechanics to Photonics
Charles W. Robson, Yaraslau Tamashevich, Tapio T. Rantala +1
The path integral formulation of quantum mechanics, i.e., the idea that the evolution of a quantum system is determined as a sum over all the possible trajectories that would take…
Electronic structure calculations with interpolating tensor product wavelet basis
Tommi Höynälänmaa, Tapio T. Rantala
We introduce a basis set consisting of three-dimensional Deslauriers--Dubuc wavelets and solve numerically the Schrödinger equations of H and He atoms and molecules ,…
Quantum Monte Carlo method for metal catalysis: case study of hydrogen production on Pt(111)
Rajesh O. Sharma, Tapio T Rantala, Philip E Hoggan
Over 90 % of all chemical manufacture uses a solid catalyst. Related work thus responds to major societal demand. This study is of water-gas shift on platinum for hydrogen producti…