Publications by authors named "Ron Shepard"

Claim this Profile
C
COLUMBUS─An Efficient and General Program Package for Ground and Excited State Computations Including Spin-Orbit Couplings and Dynamics.
Felix Plasser, Hans Lischka, Ron Shepard, Péter G Szalay, Russell M Pitzer

J Phys Chem A· July 2025

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
G
Graphically Contracted Function Construction with the Recursive Pairwise Merge Algorithm.
Ron Shepard

J Phys Chem A· December 2023

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
Q
Quantification of the Ionic Character of Multiconfigurational Wave Functions: The Diagnostic.
Silmar A do Monte, Rene F K Spada, Rodolpho L R Alves, Lachlan Belcher, Ron Shepard

J Phys Chem A· November 2023

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
T
The OpenMolcas : A Community-Driven Approach to Advancing Computational Chemistry.
Giovanni Li Manni, Ignacio Fdez Galván, Ali Alavi, Flavia Aleotti, Francesco Aquilante, Ron Shepard

J Chem Theory Comput· October 2023

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
A
A Perspective on Sustainable Computational Chemistry Software Development and Integration.
Rosa Di Felice, Maricris L Mayes, Ryan M Richard, David B Williams-Young, Garnet Kin-Lic Chan, Ron Shepard

J Chem Theory Comput· October 2023

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
O
Observation of site-selective chemical bond changes via ultrafast chemical shifts.
Andre Al-Haddad, Solène Oberli, Jesús González-Vázquez, Maximilian Bucher, Gilles Doumy, Ron Shepard

Nat Commun· November 2022

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
T
The generality of the GUGA MRCI approach in COLUMBUS for treating complex quantum chemistry.
Hans Lischka, Ron Shepard, Thomas Müller, Péter G Szalay, Russell M Pitzer

J Chem Phys· April 2020

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
R
Representations of Shavitt Graphs Within the Graphical Unitary Group Approach.
Ron Shepard, Scott R Brozell, Gergely Gidofalvi

J Comput Chem· January 2020

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
T
The Representation and Parametrization of Orthogonal Matrices.
Ron Shepard, Scott R Brozell, Gergely Gidofalvi

J Phys Chem A· July 2015

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
T
The multifacet graphically contracted function method. I. Formulation and implementation.
Ron Shepard, Gergely Gidofalvi, Scott R Brozell

J Chem Phys· August 2014

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
T
The multifacet graphically contracted function method. II. A general procedure for the parameterization of orthogonal matrices and its application to arc factors.
Ron Shepard, Gergely Gidofalvi, Scott R Brozell

J Chem Phys· August 2014

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
T
The multiradical character of one- and two-dimensional graphene nanoribbons.
Felix Plasser, Hasan Pašalić, Martin H Gerzabek, Florian Libisch, Rafael Reiter, Ron Shepard

Angew Chem Int Ed Engl· February 2013

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
M
Multiconfiguration self-consistent field and multireference configuration interaction methods and applications.
Péter G Szalay, Thomas Müller, Gergely Gidofalvi, Hans Lischka, Ron Shepard

Chem Rev· January 2012

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
C
Computation of determinant expansion coefficients within the graphically contracted function method.
Gergely Gidofalvi, Ron Shepard

J Comput Chem· November 2009

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
E
Evaluation of the spin-orbit interaction within the graphically contracted function method.
Scott R Brozell, Ron Shepard

J Phys Chem A· November 2009

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
H
Hamiltonian matrix and reduced density matrix construction with nonlinear wave functions.
Ron Shepard

J Phys Chem A· July 2006

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
A
A general nonlinear expansion form for electronic wave functions.
Ron Shepard

J Phys Chem A· December 2005

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
A
Ab initio study of AmCl(+): f-f spectroscopy and chemical binding.
Jeffrey L Tilson, Conrad Naleway, Michael Seth, Ron Shepard, Albert F Wagner

J Chem Phys· September 2004

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
A
Analytic evaluation of nonadiabatic coupling terms at the MR-CI level. I. Formalism.
Hans Lischka, Michal Dallos, Péter G Szalay, David R Yarkony, Ron Shepard

J Chem Phys· April 2004

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
A
Analytic evaluation of nonadiabatic coupling terms at the MR-CI level. II. Minima on the crossing seam: formaldehyde and the photodimerization of ethylene.
Michal Dallos, Hans Lischka, Ron Shepard, David R Yarkony, Peter G Szalay

J Chem Phys· April 2004

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
R
Reducing I/O costs for the eigenvalue procedure in large-scale configuration interaction calculations.
Ron Shepard, Isaiah Shavitt, Hans Lischka

J Comput Chem· August 2002

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis