Peter Pinski

发表

Analytical gradient for the domain-based local pair natural orbital second order Møller-Plesset perturbation theory method (DLPNO-MP2).

F. Neese, Peter Pinski, 2019, The Journal of chemical physics.

Communication: Exact analytical derivatives for the domain-based local pair natural orbital MP2 method (DLPNO-MP2).

F. Neese, Peter Pinski, 2018, The Journal of chemical physics.

Sparse maps—A systematic infrastructure for reduced-scaling electronic structure methods. I. An efficient and simple linear scaling local MP2 method that uses an intermediate basis of pair natural orbitals.

Frank Neese, Edward F. Valeev, Edward F Valeev, 2015, The Journal of chemical physics.

Multilevel Approaches within the Local Pair Natural Orbital Framework.

F. Neese, Ute Becker, Christoph Riplinger, 2017, Journal of chemical theory and computation.

Multi-scale Protocol for Mechanistic Reaction Studies Using Semi-local Fitted Potential Energy Surfaces

V. Rybkin, Thilo Mast, Peter Pinski, 2023 .

SparseMaps-A systematic infrastructure for reduced scaling electronic structure methods. V. Linear scaling explicitly correlated coupled-cluster method with pair natural orbitals.

Frank Neese, Edward F. Valeev, Christoph Riplinger, 2017, The Journal of chemical physics.

SparseMaps--A systematic infrastructure for reduced-scaling electronic structure methods. IV. Linear-scaling second-order explicitly correlated energy with pair natural orbitals.

Frank Neese, Edward F. Valeev, Edward F Valeev, 2016, The Journal of chemical physics.

Sparse maps--A systematic infrastructure for reduced-scaling electronic structure methods. II. Linear scaling domain based pair natural orbital coupled cluster theory.

Frank Neese, Edward F. Valeev, Edward F Valeev, 2016, The Journal of chemical physics.

Multi-level Protocol for Mechanistic Reaction Studies Using Semi-local Fitted Potential Energy Surfaces

V. Rybkin, Thilo Mast, Peter Pinski, 2023, 2304.00942.

Assessment of DLPNO-MP2 Approximations in Double-Hybrid DFT

F. Neese, S. Grimme, Hagen Neugebauer, 2023, Journal of chemical theory and computation.