12 citations · 28 across the 15 of their papers we have counts for
3 papers · 1 filter
The classical limit of quantum observables in the conservation laws of fluid dynamics
Petr Plecháč, Mattias Sandberg, Anders Szepessy
In the classical work by Irving and Zwanzig [Irving J.H. and Zwanzig R.W., J. Chem. Phys. 19 (1951), 1173-1180 ] it has been shown that quantum observables for macroscopic density,…
Canonical quantum observables for molecular systems approximated by ab initio molecular dynamics
Aku Kammonen, Petr Plechac, Mattias Sandberg +1
It is known that ab initio molecular dynamics based on the electron ground state eigenvalue can be used to approximate quantum observables in the canonical ensemble when the temper…
How accurate is molecular dynamics?
Christian Bayer, Håkon Hoel, Petr Plecháč +2
Born-Oppenheimer dynamics is shown to provide an accurate approximation of time-independent Schrödinger observables for a molecular system with an electron spectral gap, in the lim…