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The Journal of Chemical Physics
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April 25, 2008
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
The Journal of Chemical Physics
|
September 17, 2005
An exponential multireference wave-function Ansatz
Michael Hanrath
The Journal of Chemical Physics
|
February 9, 2022
A correctly scaling rigorously spin-adapted and spin-complete open-shell CCSD implementation for arbitrary high-spin states
Nils Herrmann, Michael Hanrath
The Journal of Chemical Physics
|
November 3, 2020
Generation of spin-adapted and spin-complete substitution operators for (high spin) open-shell coupled cluster of arbitrary order
Nils Herrmann, Michael Hanrath
The Journal of Chemical Physics
|
April 5, 2011
A fully simultaneously optimizing genetic approach to the highly excited coupled-cluster factorization problem
Anna Engels-Putzka, Michael Hanrath
The Journal of Chemical Physics
|
August 17, 2010
An efficient matrix-matrix multiplication based antisymmetric tensor contraction engine for general order coupled cluster
Michael Hanrath, Anna Engels-Putzka
The Journal of Chemical Physics
|
April 28, 2007
Fully automated implementation of the incremental scheme: application to CCSD energies for hydrocarbons and transition metal compounds
Joachim Friedrich, Michael Hanrath, Michael Dolg
The Journal of Physical Chemistry. A
|
September 14, 2007
Energy screening for the incremental scheme: application to intermolecular interactions
Joachim Friedrich, Michael Hanrath, Michael Dolg
Journal of Chemical Theory and Computation
|
October 27, 2018
An Efficient Hartree-Fock Implementation Based on the Contraction of Integrals in the Primitive Basis
Joseph Held, Michael Hanrath, Michael Dolg
The Journal of Physical Chemistry. A
|
August 22, 2008
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
Page
of 2
Search research articles
Search
Showing results (1-10 of 15) with videos related to
Sort By:
Page
of 2
The Journal of Chemical Physics
|
April 25, 2008
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
The Journal of Chemical Physics
|
September 17, 2005
An exponential multireference wave-function Ansatz
Michael Hanrath
The Journal of Chemical Physics
|
February 9, 2022
A correctly scaling rigorously spin-adapted and spin-complete open-shell CCSD implementation for arbitrary high-spin states
Nils Herrmann, Michael Hanrath
The Journal of Chemical Physics
|
November 3, 2020
Generation of spin-adapted and spin-complete substitution operators for (high spin) open-shell coupled cluster of arbitrary order
Nils Herrmann, Michael Hanrath
The Journal of Chemical Physics
|
April 5, 2011
A fully simultaneously optimizing genetic approach to the highly excited coupled-cluster factorization problem
Anna Engels-Putzka, Michael Hanrath
The Journal of Chemical Physics
|
August 17, 2010
An efficient matrix-matrix multiplication based antisymmetric tensor contraction engine for general order coupled cluster
Michael Hanrath, Anna Engels-Putzka
The Journal of Chemical Physics
|
April 28, 2007
Fully automated implementation of the incremental scheme: application to CCSD energies for hydrocarbons and transition metal compounds
Joachim Friedrich, Michael Hanrath, Michael Dolg
The Journal of Physical Chemistry. A
|
September 14, 2007
Energy screening for the incremental scheme: application to intermolecular interactions
Joachim Friedrich, Michael Hanrath, Michael Dolg
Journal of Chemical Theory and Computation
|
October 27, 2018
An Efficient Hartree-Fock Implementation Based on the Contraction of Integrals in the Primitive Basis
Joseph Held, Michael Hanrath, Michael Dolg
The Journal of Physical Chemistry. A
|
August 22, 2008
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
Page
of 2