Neuscamman, Eric

1. An efficient variational principle for the direct optimization of excited states
   2015/08/26 by Luning Zhao, Eric Neuscamman, Zhao, Luning +1 · 4 citations
   Chemistry · Materials Science · Physics and Astronomy · #Advanced Chemical Physics Studies #Advanced Physical and Chemical Molecular Interactions #Chemical Physics (physics.chem-ph) #FOS: Physical sciences #Machine Learning in Materials Science #Strongly Correlated Electrons (cond-mat.str-el)
2. A generalized variational principle with applications to excited state mean field theory
   2019/10/08 by Shea, Jacqueline A. R., Gwin, Elise, Neuscamman, Eric · 3 citations
   #Chemical Physics (physics.chem-ph) #FOS: Physical sciences #Strongly Correlated Electrons (cond-mat.str-el)
3. A Promising Intersection of Excited-State-Specific Methods from Quantum Chemistry and Quantum Monte Carlo
   2021/11/14 by Otis, Leon, Neuscamman, Eric · 4 citations
   #Chemical Physics (physics.chem-ph) #FOS: Physical sciences #Strongly Correlated Electrons (cond-mat.str-el)
4. Applying generalized variational principles to excited-state-specific complete active space self-consistent field theory
   2021/11/04 by Rebecca Hanscam, Hanscam, Rebecca, Eric Neuscamman +1 · 3 citations
   Earth and Planetary Sciences · Engineering · Materials Science · #Atmospheric Ozone and Climate #Chemical Physics (physics.chem-ph) #Electronic and Structural Properties of Oxides #FOS: Physical sciences #Perovskite Materials and Applications #Strongly Correlated Electrons (cond-mat.str-el)
5. Tracking excited states in wave function optimization using density matrices and variational principles
   2019/04/11 by Tran, Lan Nguyen, Shea, Jacqueline A. R., Neuscamman, Eric · 2 citations
   #Chemical Physics (physics.chem-ph) #FOS: Physical sciences #Strongly Correlated Electrons (cond-mat.str-el)
6. Size consistent excited states via algorithmic transformations between\n variational principles
   2017/08/31 by Jacqueline A. R. Shea, Eric Neuscamman, Shea, Jacqueline A. R. +1 · 2 citations
   Physics and Astronomy · Materials Science · #Advanced Chemical Physics Studies #Machine Learning in Materials Science #Spectroscopy and Quantum Chemical Studies
7. Improved Optimization for the Cluster Jastrow Antisymmetric Geminal\n Power and Tests on Triple-Bond Dissociations
   2016/03/21 by Eric Neuscamman, Neuscamman, Eric · 1 citation
   Chemistry · Physics and Astronomy · #Advanced Chemical Physics Studies #Advanced Condensed Matter Physics #Chemical Physics (physics.chem-ph) #FOS: Physical sciences #Inorganic Fluorides and Related Compounds #Strongly Correlated Electrons (cond-mat.str-el)
8. Optimization stability in excited state-specific variational Monte Carlo
   2022/06/17 by Leon S. Otis, Eric Neuscamman, Otis, Leon +1 · 3 citations
   Physics and Astronomy · Materials Science · Chemical Engineering · #Advanced Chemical Physics Studies #Machine Learning in Materials Science #Catalysis and Oxidation Reactions
9. Amplitude determinant coupled cluster with pairwise doubles
   2016/08/18 by Luning Zhao, Eric Neuscamman, Zhao, Luning +1 · 1 citation
   Physics and Astronomy · Chemical Engineering · #Spectroscopy and Quantum Chemical Studies #Catalysis and Oxidation Reactions #Advanced Chemical Physics Studies
10. Improving excited state potential energy surfaces via optimal orbital shapes
    2020/06/17 by Tran, Lan Nguyen, Neuscamman, Eric · 2 citations
    #Chemical Physics (physics.chem-ph) #FOS: Physical sciences
11. Exploring Ligand-to-Metal Charge-transfer States in the Photo-Ferrioxalate System using Excited-State Specific Optimization
    2023/08/09 by Tran, Lan Nguyen, Neuscamman, Eric · 2 citations
    #Atomic and Molecular Clusters (physics.atm-clus) #Chemical Physics (physics.chem-ph) #FOS: Physical sciences
12. A Blocked Linear Method for Optimizing Large Parameter Sets in Variational Monte Carlo
    2017/02/06 by Luning Zhao, Zhao, Luning, Eric Neuscamman +1 · 1 citation
    Materials Science · Physics and Astronomy · #Advanced Chemical Physics Studies #Chemical Physics (physics.chem-ph) #FOS: Physical sciences #Machine Learning in Materials Science #Physics of Superconductivity and Magnetism #Strongly Correlated Electrons (cond-mat.str-el)
13. Spin Coupling Effect on Geometry-Dependent X-ray Absorption of Diradicals
    2023/07/27 by Garner, Scott M., Haugen, Eric A., Leone, Stephen R. +1 · 1 citation
    #Chemical Physics (physics.chem-ph) #FOS: Physical sciences
14. Improving Variational Monte Carlo Optimization by Avoiding Statistically Difficult Parameters
    2023/02/06 by Garner, Scott M., Neuscamman, Eric · 1 citation
    #Chemical Physics (physics.chem-ph) #FOS: Physical sciences #Strongly Correlated Electrons (cond-mat.str-el)