Alexander A Auer

A toolchain for the automatic generation of computer codes for correlated wavefunction calculations

Frank Neese, Kantharuban Sivalingam, Martin Krupička, 2017, J. Comput. Chem..

Automatic Generation of Auxiliary Basis Sets.

Frank Neese, Alexander A Auer, F. Neese, 2017, Journal of chemical theory and computation.

Understanding the Role of Dispersion in Frustrated Lewis Pairs and Classical Lewis Adducts: A Domain-Based Local Pair Natural Orbital Coupled Cluster Study.

Frank Neese, Alexander A Auer, F. Neese, 2017, Chemistry.

Decomposition of Intermolecular Interaction Energies within the Local Pair Natural Orbital Coupled Cluster Framework.

Frank Neese, Manuel Sparta, Masaaki Saitow, 2016, Journal of chemical theory and computation.

Parallel Calculation of CCSD and CCSD(T) Analytic First and Second Derivatives.

Jürgen Gauss, Michael E Harding, Alexander A Auer, 2008, Journal of chemical theory and computation.

Combined coupled-cluster and many-body perturbation theories.

So Hirata, Marcel Nooijen, Piotr Piecuch, 2004, The Journal of chemical physics.

Quantitative prediction of gas-phase 19F nuclear magnetic shielding constants.

Jürgen Gauss, Michael E Harding, Alexander A Auer, 2003, The Journal of chemical physics.

Comparison of fully internally and strongly contracted multireference configuration interaction procedures.

Frank Neese, Kantharuban Sivalingam, Alexander A Auer, 2016, The Journal of chemical physics.