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Journal of Chemical Theory and Computation
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March 26, 2026
SAP-X2C: Optimally-Simple Two-Component Relativistic Hamiltonian with Size-Intensive Picture Change
Kshitijkumar A Surjuse, Edward F Valeev
Journal of Chemical Theory and Computation
|
October 25, 2025
Physics-Driven Construction of Compact Primitive Gaussian Density Fitting Basis Sets
Kshitijkumar A Surjuse, Edward F Valeev
Journal of Chemical Theory and Computation
|
September 10, 2025
Slimmer Geminals For Accurate F12 Electronic Structure Models
Samuel R Powell, Kshitijkumar A Surjuse, Bimal Gaudel, et al.
Physical Chemistry Chemical Physics : PCCP
|
February 8, 2024
Economical quasi-Newton unitary optimization of electronic orbitals
Samuel A Slattery, Kshitijkumar A Surjuse, Charles C Peterson, et al.
The Journal of Physical Chemistry. A
|
July 29, 2024
Relativistic Coupled Cluster with Completely Renormalized and Perturbative Triples Corrections
Stephen H Yuwono, Run R Li, Tianyuan Zhang, et al.
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of 1
Search research articles
Search
Showing results (1-10 of 5) with videos related to
Sort By:
Page
of 1
Journal of Chemical Theory and Computation
|
March 26, 2026
SAP-X2C: Optimally-Simple Two-Component Relativistic Hamiltonian with Size-Intensive Picture Change
Kshitijkumar A Surjuse, Edward F Valeev
Journal of Chemical Theory and Computation
|
October 25, 2025
Physics-Driven Construction of Compact Primitive Gaussian Density Fitting Basis Sets
Kshitijkumar A Surjuse, Edward F Valeev
Journal of Chemical Theory and Computation
|
September 10, 2025
Slimmer Geminals For Accurate F12 Electronic Structure Models
Samuel R Powell, Kshitijkumar A Surjuse, Bimal Gaudel, et al.
Physical Chemistry Chemical Physics : PCCP
|
February 8, 2024
Economical quasi-Newton unitary optimization of electronic orbitals
Samuel A Slattery, Kshitijkumar A Surjuse, Charles C Peterson, et al.
The Journal of Physical Chemistry. A
|
July 29, 2024
Relativistic Coupled Cluster with Completely Renormalized and Perturbative Triples Corrections
Stephen H Yuwono, Run R Li, Tianyuan Zhang, et al.
Page
of 1