Publications (28)
Improved Optimization for the Cluster Jastrow Antisymmetric Geminal Power and Tests on Triple-Bond Dissociations
Eric Neuscamman
Reduced Scaling Hilbert Space Variational Monte Carlo
Haochuan Wei, Eric Neuscamman
A Blocked Linear Method for Optimizing Large Parameter Sets in Variational Monte Carlo
Luning Zhao, Eric Neuscamman
Variational Excitations in Real Solids: Optical Gaps and Insights into Many-Body Perturbation Theory
Luning Zhao, Eric Neuscamman
Excited-state diffusion Monte Carlo calculations: a simple and efficient two-determinant ansatz
Nick S. Blunt, Eric Neuscamman
Equation of motion theory for excited states in variational Monte Carlo and the Jastrow antisymmetric geminal power in Hilbert space
Luning Zhao, Eric Neuscamman
An Introduction to the Density Matrix Renormalization Group Ansatz in Quantum Chemistry
Garnet Kin-Lic Chan, Jonathan J. Dorando, Debashree Ghosh +4
Tracking excited states in wave function optimization using density matrices and variational principles
Lan Nguyen Tran, Jacqueline A. R. Shea, Eric Neuscamman
Excited State Specific Multi-Slater Jastrow Wave Functions
Sergio D. Pineda Flores, Eric Neuscamman
Variation After Response in Quantum Monte Carlo
Eric Neuscamman
Optimizing large parameter sets in variational quantum Monte Carlo
Eric Neuscamman, C. J. Umrigar, Garnet Kin-Lic Chan
Size consistent excited states via algorithmic transformations between variational principles
Jacqueline A. R. Shea, Eric Neuscamman
Striped spin liquid crystal ground state instability of kagome antiferromagnets
Bryan Clark, Jesse Kinder, Eric Neuscamman +2
Suppressing ionic terms with number counting Jastrow factors in real space
Brett Van Der Goetz, Eric Neuscamman
Excitation Variance Matching with Limited Configuration Interaction Expansions in Variational Monte Carlo
Paul J. Robinson, Sergio D. Pineda Flores, Eric Neuscamman
Towards a systematically improvable many-body description of antiferromagnetic iron oxide
Joshua P Townsend, Raymond C Clay, Thomas R Mattsson +5
Amplitude determinant coupled cluster with pairwise doubles
Luning Zhao, Eric Neuscamman
Complementary First and Second Derivative Methods for Ansatz Optimization in Variational Monte Carlo
Leon Otis, Eric Neuscamman
An efficient variational principle for the direct optimization of excited states
Luning Zhao, Eric Neuscamman
QMCPACK : An open source ab initio Quantum Monte Carlo package for the electronic structure of atoms, molecules, and solids
Jeongnim Kim, Andrew Baczewski, Todd D. Beaudet +45
A correlator product state study of molecular magnetism in the giant Keplerate Mo72Fe30
Eric Neuscamman, Garnet Kin-Lic Chan
An exactly size consistent geminal power via Jastrow factor networks in a local one particle basis
Eric Neuscamman
Charge-transfer excited states: Seeking a balanced and efficient wave function ansatz in variational Monte Carlo
N. S. Blunt, Eric Neuscamman
Further developments in correlator product states: deterministic optimization and energy evaluation
Eric Neuscamman, Hitesh Changlani, Jesse Kinder +1
A Jastrow factor coupled cluster theory for weak and strong electron correlation
Eric Neuscamman
Clean and Convenient Tessellations for Number Counting Jastrow Factors
Brett Van Der Goetz, Leon Otis, Eric Neuscamman
A Mean Field Platform for Excited State Quantum Chemistry
Jacqueline A. R. Shea, Eric Neuscamman
The Jastrow antisymmetric geminal power in Hilbert space: theory, benchmarking, and application to a novel transition state
Eric Neuscamman