Ab Initio Reaction Kinetics of Hydrogen Abstraction from Methyl Formate by Hydrogen, Methyl, Oxygen, Hydroxyl, and Hydroperoxy Radicals von Tan, Ting, Pavone, Michele, Krisiloff, David B, Carter, Emily A

Volltext

Approximately size extensive local multireference singles and doubles configuration interaction von KRISILOFF, David B, CARTER, Emily A

Volltext

Size-extensivity-corrected multireference configuration interaction schemes to accurately predict bond dissociation energies of oxygenated hydrocarbons von Oyeyemi, Victor B, Krisiloff, David B, Keith, John A, Libisch, Florian, Pavone, Michele, Carter, Emily A

Volltext

Approximately size extensive local Multireference Singles and Doubles Configuration Interaction von Krisiloff, David B, Carter, Emily A

Volltext

Bond Dissociation Energies of C10 and C18 Methyl Esters from Local Multireference Averaged-Coupled Pair Functional Theory von Oyeyemi, Victor B, Dieterich, Johannes M, Krisiloff, David B, Tan, Ting, Carter, Emily A

Volltext

Density Fitting and Cholesky Decomposition of the Two-Electron Integrals in Local Multireference Configuration Interaction Theory von Krisiloff, David B, Krauter, Caroline M, Ricci, Francis J, Carter, Emily A

Volltext

Correction to “Ab Initio Reaction Kinetics of Hydrogen Abstraction from Methyl Formate by Hydrogen, Methyl, Oxygen, Hydroxyl, and Hydroperoxy Radicals” von Tan, Ting, Pavone, Michele, Krisiloff, David B, Carter, Emily A

Volltext

Bond Dissociation Energies of C 10 and C 18 Methyl Esters from Local Multireference Averaged-Coupled Pair Functional Theory von Oyeyemi, Victor B., Dieterich, Johannes M., Krisiloff, David B., Tan, Ting, Carter, Emily A.

Volltext

Ab Initio Reaction Kinetics of Hydrogen Abstraction from Methyl Formate by Hydrogen, Methyl, Oxygen, Hydroxyl, and Hydroperoxy Radicals von Tan, Ting, Pavone, Michele, Krisiloff, David B., Carter, Emily A.

Volltext

Analysis of and remedies for unphysical ground states of the multireference averaged coupled-pair functional von Krisiloff, David B., Oyeyemi, Victor B., Libisch, Florian, Carter, Emily A.

Volltext

Shared-memory parallelization of a local correlation multi-reference CI program von Dieterich, Johannes M., Krisiloff, David B., Gaenko, Alexander, Libisch, Florian, Windus, Theresa L., Gordon, Mark S., Carter, Emily A.

Volltext

Size-extensivity-corrected multireference configuration interaction schemes to accurately predict bond dissociation energies of oxygenated hydrocarbons von Oyeyemi, Victor B., Krisiloff, David B., Keith, John A., Libisch, Florian, Pavone, Michele, Carter, Emily A., Program in Applied and Computational Mathematics, Princeton University, Princeton, New Jersey 08544, Andlinger Center for Energy and the Environment, Princeton University, Princeton, New Jersey 08544

Volltext

Analysis of and remedies for unphysical ground states of the multireference averaged coupled-pair functional von Krisiloff, David B., Oyeyemi, Victor B., Libisch, Florian, Carter, Emily A., Program in Applied and Computational Mathematics, Princeton University, Princeton, New Jersey 08544, Andlinger Center for Energy and the Environment, Princeton University, Princeton, New Jersey 08544-5263

Volltext