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Valeev, Edward F.
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1

Economical quasi-Newton unitary optimization of electronic ..:

Slattery, Samuel A. ; Surjuse, Kshitijkumar A. ; Peterson, Charles C...
Physical Chemistry Chemical Physics.  26 (2024)  8 - p. 6557-6573 , 2024
Link: https://doi.org/10.1039/..
 
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2

3-center and 4-center 2-particle Gaussian AO integrals on m..:

Asadchev, Andrey ; Valeev, Edward F.
The Journal of Chemical Physics.  160 (2024)  24 - p. , 2024
Link: https://doi.org/10.1063/..
 
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3

Dirac–Coulomb–Breit Molecular Mean-Field Exact-Two-Componen..:

Zhang, Tianyuan ; Banerjee, Samragni ; Koulias, Lauren N....
The Journal of Physical Chemistry A.  128 (2024)  17 - p. 3408-3418 , 2024
Link: https://doi.org/10.1021/..
 
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4

Relativistic Coupled Cluster with Completely Renormalized a..:

Yuwono, Stephen H. ; Li, Run R. ; Zhang, Tianyuan...
The Journal of Physical Chemistry A.  128 (2024)  31 - p. 6521-6539 , 2024
Link: https://doi.org/10.1021/..
 
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5

Revisiting Artifacts of Kohn–Sham Density Functionals for B..:

Slattery, Samuel A. ; Yon, Jaden C. ; Valeev, Edward F.
Journal of Chemical Theory and Computation.  20 (2024)  15 - p. 6652-6660 , 2024
Link: https://doi.org/10.1021/..
 
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6

High-Performance Evaluation of High Angular Momentum 4-Cent..:

Asadchev, Andrey ; Valeev, Edward F.
The Journal of Physical Chemistry A.  127 (2023)  51 - p. 10889-10895 , 2023
Link: https://doi.org/10.1021/..
 
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7

A Perspective on Sustainable Computational Chemistry Softwa..:

Di Felice, Rosa ; Mayes, Maricris L. ; Richard, Ryan M....
Journal of Chemical Theory and Computation.  19 (2023)  20 - p. 7056-7076 , 2023
Link: https://doi.org/10.1021/..
 
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8

SparseMaps—A systematic infrastructure for reduced-scaling ..:

Guo, Yang ; Pavošević, Fabijan ; Sivalingam, Kantharuban...
The Journal of Chemical Physics.  158 (2023)  12 - p. , 2023
Link: https://doi.org/10.1063/..
 
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9

Cluster-in-Molecule Approach with Explicitly Correlated Met..:

Wang, Yuqi ; Guo, Yang ; Neese, Frank...
Journal of Chemical Theory and Computation.  , 2023
Link: https://doi.org/10.1021/..
 
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10

Evaluating the evidence for exponential quantum advantage i..:

Lee, Seunghoon ; Lee, Joonho ; Zhai, Huanchen...
Nature Communications.  14 (2023)  1 - p. , 2023
Link: https://doi.org/10.1038/..
 
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11

Distributed memory, GPU accelerated Fock construction for h..:

Williams-Young, David B. ; Asadchev, Andrey ; Popovici, Doru Thom...
The Journal of Chemical Physics.  158 (2023)  23 - p. , 2023
Link: https://doi.org/10.1063/..
 
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12

Direct Determination of Optimal Real-Space Orbitals for Cor..:

Valeev, Edward F. ; Harrison, Robert J. ; Holmes, Adam A...
Journal of Chemical Theory and Computation.  , 2023
Link: https://doi.org/10.1021/..
 
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13

Comment on "Canonical transcorrelated theory with projected..:

Masteran, Conner ; Kumar, Ashutosh ; Teke, Nakul...
The Journal of Chemical Physics.  158 (2023)  5 - p. , 2023
Link: https://doi.org/10.1063/..
 
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14

Composition of Algorithmic Building Blocks in Template Task..:

, In: 2022 IEEE/ACM Parallel Applications Workshop: Alternatives To MPI+X (PAW-ATM),
Herault, Thomas ; Schuchart, Joseph ; Valeev, Edward F.. - p. 26-38 , 2022
Link: https://doi.org/10.1109/..
 
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15

Generalized Flow-Graph Programming Using Template Task-Grap..:

, In: 2022 IEEE International Parallel and Distributed Processing Symposium (IPDPS),
Schuchart, Joseph ; Nookala, Poornima ; Javanmard, Mohammad Mahdi... - p. 839-849 , 2022
Link: https://doi.org/10.1109/..
 
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