Publications by authors named "Michael Hanrath"

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AgPdO, a New Subvalent Silver Oxide, Obtained from AgPdO via a High-pressure Synthesis.
Sihana Ahmedi, Natalia Martynova, Nico Giordano, Michael Hanrath, Martin Jansen

Chemistry· October 2025

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A correctly scaling rigorously spin-adapted and spin-complete open-shell CCSD implementation for arbitrary high-spin states.
Nils Herrmann, Michael Hanrath

J Chem Phys· February 2022

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Generation of spin-adapted and spin-complete substitution operators for (high spin) open-shell coupled cluster of arbitrary order.
Nils Herrmann, Michael Hanrath

J Chem Phys· October 2020

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An Efficient Hartree-Fock Implementation Based on the Contraction of Integrals in the Primitive Basis.
Joseph Held, Michael Hanrath, Michael Dolg

J Chem Theory Comput· December 2018

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Do primary nitrosamines form and exist in the gas phase? A computational study of CH3NHNO and (CH3)2NNO.
Yizhen Tang, Michael Hanrath, Claus Jørgen Nielsen

Phys Chem Chem Phys· December 2012

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Accurate relativistic energy-consistent pseudopotentials for the superheavy elements 111 to 118 including quantum electrodynamic effects.
Tim Hangele, Michael Dolg, Michael Hanrath, Xiaoyan Cao, Peter Schwerdtfeger

J Chem Phys· June 2012

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A fully simultaneously optimizing genetic approach to the highly excited coupled-cluster factorization problem.
Anna Engels-Putzka, Michael Hanrath

J Chem Phys· March 2011

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An efficient matrix-matrix multiplication based antisymmetric tensor contraction engine for general order coupled cluster.
Michael Hanrath, Anna Engels-Putzka

J Chem Phys· August 2010

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Evaluation of incremental correlation energies for open-shell systems: application to the intermediates of the 4-exo cyclization, arduengo carbenes and an anionic water cluster.
Joachim Friedrich, Michael Hanrath, Michael Dolg

J Phys Chem A· September 2008

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Higher excitations for an exponential multireference wavefunction Ansatz and single-reference based multireference coupled cluster Ansatz: application to model systems H(4), P(4), and BeH(2).
Michael Hanrath

J Chem Phys· April 2008

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Energy screening for the incremental scheme: application to intermolecular interactions.
Joachim Friedrich, Michael Hanrath, Michael Dolg

J Phys Chem A· October 2007

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Fully automated implementation of the incremental scheme: application to CCSD energies for hydrocarbons and transition metal compounds.
Joachim Friedrich, Michael Hanrath, Michael Dolg

J Chem Phys· April 2007

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An exponential multireference wave-function Ansatz.
Michael Hanrath

J Chem Phys· August 2005

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Two Novel Thermal Biradical Cyclizations in Theory and Experiment: New Synthetic Routes to 6H-Indolo[2,3-b]quinolines and 2-Aminoquinolines from Enyne-Carbodiimides.
Michael Schmittel, Jens-Peter Steffen, Bernd Engels, Christian Lennartz, Michael Hanrath

Angew Chem Int Ed Engl· September 1998

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Two Novel Thermal Biradical Cyclizations of Enyne-Ketenimines: Theory, Experiment, and Synthetic Potential.
Michael Schmittel, Jens-Peter Steffen, Miguel Á Wencesla Ángel, Bernd Engels, Christian Lennartz, Michael Hanrath

Angew Chem Int Ed Engl· June 1998

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