Physics – Chemical Physics
Scientist
Physics
Chemical Physics
Scientist
Ab initio linear scaling response theory: Electric polarizability by perturbed projection
Higher Order Response in ${\cal O}(N)$ by Perturbed Projection
Molecular packing and chemical association in liquid water simulated using ab initio hybrid Monte Carlo and different exchange-correlation functionals
Non-Orthogonal Density Matrix Perturbation Theory
Regularizing binding energy distributions and thermodynamics of hydration. Application to water modeled with classical and ab initio simulations
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