Highly Efficient and Scalable Compound Decomposition of Two ...

We develop a decomposition strategy to approximately represent the two-electron integral tensor in terms of low-rank vectors.

The representation and storage of two-electron integral tensors are vital in large-scale applications of accurate electronic structure methods.

Highly Efficient and Scalable Compound Decomposition of Two ...

More importantly, this decomposition strategy can significantly reduce the storage requirement of the atomic-orbital (AO) two-electron integral tensor from O( ...

[PDF] Highly Efficient and Scalable Compound Decomposition of ...

This work develops a decomposition strategy to approximately represent the two-electron integral tensor in terms of low-rank vectors and can significantly ...

Highly Efficient and Scalable Compound Decomposition of Two ...

Highly Efficient and Scalable Compound Decomposition of Two-Electron Integral Tensor and Its Application in Coupled Cluster Calculations.

Highly Efficient and Scalable Compound Decomposition of Two ...

Highly Efficient and Scalable Compound Decomposition of Two-Electron Integral Tensor and Its Application in Coupled Cluster Calculations. J. Chem. Theory ...

Karol Kowalski | PNNL

"Highly efficient and scalable compound decomposition of two-electron integral tensor and its application in coupled cluster calculations." Journal of ...

‪Bo Peng‬ - ‪Google Scholar‬

2010. Highly efficient and scalable compound decomposition of two-electron integral tensor and its application in coupled cluster calculations. B Peng, K ...

Bo Peng | PNNL

"Highly efficient and scalable compound decomposition of two-electron integral tensor and its application in coupled cluster calculations." Journal of ...

PRX Quantum 2, 030305 (2021) - Physical Review Link Manager

” The SF uses an eigendecomposition of the two ... Bo Peng and Karol Kowalski, Highly efficient and scalable compound decomposition ...

New computational tools for many-body theories

ound two-. Highly Efficient and Scalable Compound Decomposition of Two-. Electron Integral Tensor and Its Application in Coupled Cluster. Calculations. Bo Peng ...

Cholesky decomposition of the two-electron integral matrix in ...

Highly Efficient and Scalable Compound Decomposition of Two-Electron Integral Tensor and Its Application in Coupled Cluster Calculations. Article. Aug 2017.

Efficient Ab Initio Auxiliary-Field Quantum Monte Carlo Calculations ...

Highly Efficient and Scalable Compound Decomposition of Two-Electron Integral Tensor and Its Application in Coupled Cluster Calculations. Peng, Bo; Kowalski ...

Efficient construction of canonical polyadic approximations of tensor ...

We demonstrated how to efficiently compute full (4-way) CP decomposition of large 2-body ... Highly Efficient and Scalable Compound Decomposition of Two-.

the local unitary cluster Jastrow ansatz for electronic structure

57. B. Peng, K. Kowalski. Highly efficient and scalable compound decomposition of two-electron integral tensor and its application in coupled ...

Tensor-Structured Factorized Calculation of Two-Electron Integrals ...

Highly Efficient and Scalable Compound Decomposition of Two-Electron Integral Tensor and Its Application in Coupled Cluster Calculations. Journal of Chemical ...

Efficient and noise resilient measurements for quantum chemistry on ...

Highly efficient and scalable compound decomposition of two-electron integral tensor and its application in coupled cluster calculations. J ...

Quantum computing enhanced computational catalysis

Note that the rank- R factorization of the two-electron tensor h ... Kowalski, Highly efficient and scalable compound decomposition of ...

Reliably assessing the electronic structure of cytochrome P450 on ...

Peng B., Kowalski K., Highly efficient and scalable compound decomposition of two-electron integral tensor and its application in coupled ...

FAST COULOMB MATRIX CONSTRUCTION VIA COMPRESSING ...

These two sets of systems span an important determinant of CFMM and \scrH 2 ... Kowalski, Highly efficient and scalable compound decomposition of two-.