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Publications by Martin Head-Gordon
Generalized Single Excitation Configuration Interaction: An Investigation Into the Impact of the Inclusion of Non-Orthogonality on the Calculation of Core-Excited States
What Levels of Coupled Cluster Theory Are Appropriate for Transition Metal Systems? A Study Using Near Exact Quantum Chemical Values for 3d Transition Metal Binary Compounds.
What Levels of Coupled Cluster Theory Are Appropriate for Transition Metal Systems? A Study Using Near Exact Quantum Chemical Values for 3d Transition Metal Binary Compounds.
What Levels of Coupled Cluster Theory Are Appropriate for Transition Metal Systems? A Study Using Near Exact Quantum Chemical Values for 3d Transition Metal Binary Compounds.
Generalized Single Excitation Configuration Interaction: An Investigation Into the Impact of the Inclusion of Non-Orthogonality on the Calculation of Core-Excited States
Bimolecular Reaction Dynamics in the Phenyl - Silane System: Exploring the Prototype of a Radical Substitution Mechanism
An Efficient Self-Consistent Field Method for Large Systems of Weakly Interacting Components
Journal of Chemical Physics
Medicine
Theoretical Chemistry
Astronomy
Physics
Physical
Second-Order Perturbation Corrections to Singles and Doubles Coupled-Cluster Methods: General Theory and Application to the Valence Optimized Doubles Model
Journal of Chemical Physics
Medicine
Theoretical Chemistry
Astronomy
Physics
Physical
Development and Application of a Hybrid Method Involving Interpolation and Ab Initio Calculations for the Determination of Transition States
Journal of Chemical Physics
Medicine
Theoretical Chemistry
Astronomy
Physics
Physical
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