Search research articles
Contact Us
Filters
Showing results (11-20 of 70) with videos related to
Page
of 7
Sort By:
The Journal of Chemical Physics
|
December 27, 2005
Renormalized coupled-cluster methods exploiting left eigenstates of the similarity-transformed Hamiltonian
Piotr Piecuch, Marta Włoch
The Journal of Chemical Physics
|
December 28, 2006
Efficient formulation and computer implementation of the active-space electron-attached and ionized equation-of-motion coupled-cluster methods
Jeffrey R Gour, Piotr Piecuch
Journal of the American Chemical Society
|
February 24, 2005
Balancing dynamic and nondynamic correlation for diradical and aromatic transition states: a renormalized coupled-cluster study of the cope rearrangement of 1,5-hexadiene
Michael J McGuire, Piotr Piecuch
The Journal of Chemical Physics
|
April 20, 2005
The X1Sigmag+, B1Deltag, and B' 1Sigmag+ states of C2: a comparison of renormalized coupled-cluster and multireference methods with full configuration interaction benchmarks
C David Sherrill, Piotr Piecuch
The Journal of Chemical Physics
|
April 25, 2008
Extrapolating potential energy surfaces by scaling electron correlation: isomerization of bicyclobutane to butadiene
Jesse J Lutz, Piotr Piecuch
Science Advances
|
April 15, 2020
Quantum computation solves a half-century-old enigma: Elusive vibrational states of magnesium dimer found
Stephen H Yuwono, Ilias Magoulas, Piotr Piecuch
The Journal of Physical Chemistry. A
|
April 15, 2017
Economical Doubly Electron-Attached Equation-of-Motion Coupled-Cluster Methods with an Active-Space Treatment of Three-Particle-One-Hole and Four-Particle-Two-Hole Excitations
Adeayo O Ajala, Jun Shen, Piotr Piecuch
Physical Review Letters
|
December 30, 2017
Converging High-Level Coupled-Cluster Energetics by Monte Carlo Sampling and Moment Expansions
J Emiliano Deustua, Jun Shen, Piotr Piecuch
The Journal of Physical Chemistry. A
|
August 22, 2013
Aerobic oxidation of methanol to formic acid on Au8-: benchmark analysis based on completely renormalized coupled-cluster and density functional theory calculations
Jared A Hansen, Masahiro Ehara, Piotr Piecuch
The Journal of Chemical Physics
|
November 13, 2007
Breaking bonds with the left eigenstate completely renormalized coupled-cluster method
Yingbin Ge, Mark S Gordon, Piotr Piecuch
Page
of 7
Search research articles
Search
Showing results (11-20 of 70) with videos related to
Sort By:
Page
of 7
The Journal of Chemical Physics
|
December 27, 2005
Renormalized coupled-cluster methods exploiting left eigenstates of the similarity-transformed Hamiltonian
Piotr Piecuch, Marta Włoch
The Journal of Chemical Physics
|
December 28, 2006
Efficient formulation and computer implementation of the active-space electron-attached and ionized equation-of-motion coupled-cluster methods
Jeffrey R Gour, Piotr Piecuch
Journal of the American Chemical Society
|
February 24, 2005
Balancing dynamic and nondynamic correlation for diradical and aromatic transition states: a renormalized coupled-cluster study of the cope rearrangement of 1,5-hexadiene
Michael J McGuire, Piotr Piecuch
The Journal of Chemical Physics
|
April 20, 2005
The X1Sigmag+, B1Deltag, and B' 1Sigmag+ states of C2: a comparison of renormalized coupled-cluster and multireference methods with full configuration interaction benchmarks
C David Sherrill, Piotr Piecuch
The Journal of Chemical Physics
|
April 25, 2008
Extrapolating potential energy surfaces by scaling electron correlation: isomerization of bicyclobutane to butadiene
Jesse J Lutz, Piotr Piecuch
Science Advances
|
April 15, 2020
Quantum computation solves a half-century-old enigma: Elusive vibrational states of magnesium dimer found
Stephen H Yuwono, Ilias Magoulas, Piotr Piecuch
The Journal of Physical Chemistry. A
|
April 15, 2017
Economical Doubly Electron-Attached Equation-of-Motion Coupled-Cluster Methods with an Active-Space Treatment of Three-Particle-One-Hole and Four-Particle-Two-Hole Excitations
Adeayo O Ajala, Jun Shen, Piotr Piecuch
Physical Review Letters
|
December 30, 2017
Converging High-Level Coupled-Cluster Energetics by Monte Carlo Sampling and Moment Expansions
J Emiliano Deustua, Jun Shen, Piotr Piecuch
The Journal of Physical Chemistry. A
|
August 22, 2013
Aerobic oxidation of methanol to formic acid on Au8-: benchmark analysis based on completely renormalized coupled-cluster and density functional theory calculations
Jared A Hansen, Masahiro Ehara, Piotr Piecuch
The Journal of Chemical Physics
|
November 13, 2007
Breaking bonds with the left eigenstate completely renormalized coupled-cluster method
Yingbin Ge, Mark S Gordon, Piotr Piecuch
Page
of 7