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Journal of Chemical Theory and Computation
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November 18, 2015
Orbital Energies for Seniority-Zero Wave Functions
Peter A Limacher
The Journal of Chemical Physics
|
November 24, 2016
A new wavefunction hierarchy for interacting geminals
Peter A Limacher
The Journal of Chemical Physics
|
March 13, 2026
Attacking the integral transformation bottleneck: A fast orbital-optimization algorithm with sub-cubic computational cost for arbitrary seniority-zero wavefunctions
Peter A Limacher
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
August 24, 2017
Computational Study of the Molecular Structure and Hydrogen Bonding in the Hamilton Wedge/Cyanuric Acid Binding Motif
Peter A Limacher, Wim Klopper
The Journal of Physical Chemistry. A
|
March 8, 2008
2,3-Diphenylbutadiene and donor-acceptor functionalized derivatives: exploring the competition between conjugation paths in branched pi-systems
Peter A Limacher, Hans Peter Lüthi
The Journal of Chemical Physics
|
July 13, 2011
On the effect of electron correlation on the static second hyperpolarizability of π conjugated oligomer chains
Peter A Limacher, Qingxu Li, Hans P Lüthi
The Journal of Chemical Physics
|
October 2, 2009
A systematic analysis of the structure and (hyper)polarizability of donor-acceptor substituted polyacetylenes using a Coulomb-attenuating density functional
Stefano Borini, Peter A Limacher, Hans Peter Lüthi
The Journal of Physical Chemistry. A
|
January 21, 2010
Structural features analysis and nonlinearity of end-cap-substituted polyacetylenes
Stefano Borini, Peter A Limacher, Hans Peter Lüthi
The Journal of Chemical Physics
|
May 27, 2009
On the accurate calculation of polarizabilities and second hyperpolarizabilities of polyacetylene oligomer chains using the CAM-B3LYP density functional
Peter A Limacher, Kurt V Mikkelsen, Hans Peter Lüthi
Journal of Computational Chemistry
|
April 6, 2013
Finding optimal finite field strengths allowing for a maximum of precision in the calculation of polarizabilities and hyperpolarizabilities
Ahmed A K Mohammed, Peter A Limacher, Benoît Champagne
Page
of 2
Search research articles
Search
Showing results (1-10 of 19) with videos related to
Sort By:
Page
of 2
Journal of Chemical Theory and Computation
|
November 18, 2015
Orbital Energies for Seniority-Zero Wave Functions
Peter A Limacher
The Journal of Chemical Physics
|
November 24, 2016
A new wavefunction hierarchy for interacting geminals
Peter A Limacher
The Journal of Chemical Physics
|
March 13, 2026
Attacking the integral transformation bottleneck: A fast orbital-optimization algorithm with sub-cubic computational cost for arbitrary seniority-zero wavefunctions
Peter A Limacher
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
August 24, 2017
Computational Study of the Molecular Structure and Hydrogen Bonding in the Hamilton Wedge/Cyanuric Acid Binding Motif
Peter A Limacher, Wim Klopper
The Journal of Physical Chemistry. A
|
March 8, 2008
2,3-Diphenylbutadiene and donor-acceptor functionalized derivatives: exploring the competition between conjugation paths in branched pi-systems
Peter A Limacher, Hans Peter Lüthi
The Journal of Chemical Physics
|
July 13, 2011
On the effect of electron correlation on the static second hyperpolarizability of π conjugated oligomer chains
Peter A Limacher, Qingxu Li, Hans P Lüthi
The Journal of Chemical Physics
|
October 2, 2009
A systematic analysis of the structure and (hyper)polarizability of donor-acceptor substituted polyacetylenes using a Coulomb-attenuating density functional
Stefano Borini, Peter A Limacher, Hans Peter Lüthi
The Journal of Physical Chemistry. A
|
January 21, 2010
Structural features analysis and nonlinearity of end-cap-substituted polyacetylenes
Stefano Borini, Peter A Limacher, Hans Peter Lüthi
The Journal of Chemical Physics
|
May 27, 2009
On the accurate calculation of polarizabilities and second hyperpolarizabilities of polyacetylene oligomer chains using the CAM-B3LYP density functional
Peter A Limacher, Kurt V Mikkelsen, Hans Peter Lüthi
Journal of Computational Chemistry
|
April 6, 2013
Finding optimal finite field strengths allowing for a maximum of precision in the calculation of polarizabilities and hyperpolarizabilities
Ahmed A K Mohammed, Peter A Limacher, Benoît Champagne
Page
of 2