Saved in:
| Main Authors: | Masteran, Conner, Gaudel, Bimal, Valeev, Edward F. |
|---|---|
| Format: | Preprint |
| Published: |
2025
|
| Subjects: | |
| Online Access: | https://arxiv.org/abs/2508.20233 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
Slimmer Geminals For Accurate F12 Electronic Structure Models
by: Powell, Samuel R., et al.
Published: (2025)
by: Powell, Samuel R., et al.
Published: (2025)
SeQuant Framework for Symbolic and Numerical Tensor Algebra. I. Core Capabilities
by: Gaudel, Bimal, et al.
Published: (2025)
by: Gaudel, Bimal, et al.
Published: (2025)
"Best" iterative coupled-cluster triples model: More evidence for 3CC
by: Teke, Nakul, et al.
Published: (2024)
by: Teke, Nakul, et al.
Published: (2024)
Transcorrelated Methods for Multireference Problems
by: Haupt, J. Philip, et al.
Published: (2025)
by: Haupt, J. Philip, et al.
Published: (2025)
Studies on the Transcorrelated Method
by: Lee, Nicholas, et al.
Published: (2023)
by: Lee, Nicholas, et al.
Published: (2023)
Comment on "A tight distance-dependent estimator for screening three-center Coulomb integrals over Gaussian basis functions" [J. Chem. Phys. 142, 154106 (2015)]
by: Valeev, Edward F., et al.
Published: (2020)
by: Valeev, Edward F., et al.
Published: (2020)
Transcorrelated Methods Applied to Second Row Elements
by: Filip, Maria-Andreea, et al.
Published: (2024)
by: Filip, Maria-Andreea, et al.
Published: (2024)
Modular Construction of Jastrow Factors for the Transcorrelated Method
by: Haupt, J. Philip, et al.
Published: (2025)
by: Haupt, J. Philip, et al.
Published: (2025)
Physics-Driven Construction of Compact Primitive Gaussian Density Fitting Basis Sets
by: Surjuse, Kshitijkumar A., et al.
Published: (2025)
by: Surjuse, Kshitijkumar A., et al.
Published: (2025)
Why are diffuse atomic orbitals needed for accurate electronic wave functions of even neutral molecules?
by: Powell, Samuel R., et al.
Published: (2025)
by: Powell, Samuel R., et al.
Published: (2025)
Orbital Anatomy of Self-Interaction in Kohn-Sham Density Functional Theory
by: Slattery, Samuel A., et al.
Published: (2024)
by: Slattery, Samuel A., et al.
Published: (2024)
Transcorrelated Theory with Pseudopotentials
by: Simula, Kristoffer, et al.
Published: (2024)
by: Simula, Kristoffer, et al.
Published: (2024)
SAP-X2C: Optimally-Simple Two-Component Relativistic Hamiltonian With Size-Intensive Picture Change
by: Surjuse, Kshitijkumar A., et al.
Published: (2026)
by: Surjuse, Kshitijkumar A., et al.
Published: (2026)
Implementation of McMurchie-Davidson algorithm for Gaussian AO integrals suited for SIMD processors
by: Asadchev, Andrey, et al.
Published: (2025)
by: Asadchev, Andrey, et al.
Published: (2025)
Efficient construction of canonical polyadic approximations of tensor networks
by: Pierce, Karl, et al.
Published: (2022)
by: Pierce, Karl, et al.
Published: (2022)
Memory-Efficient Recursive Evaluation of 3-Center Gaussian Integrals
by: Asadchev, Andrey, et al.
Published: (2022)
by: Asadchev, Andrey, et al.
Published: (2022)
Explicitly correlated coupled cluster method for accurate treatment of open-shell molecules with hundreds of atoms
by: Kumar, Ashutosh, et al.
Published: (2020)
by: Kumar, Ashutosh, et al.
Published: (2020)
Robust approximation of tensor networks: application to grid-free tensor factorization of the Coulomb interaction
by: Pierce, Karl, et al.
Published: (2020)
by: Pierce, Karl, et al.
Published: (2020)
Transcorrelated Theory for Transition Metal Atoms
by: Simula, Kristoffer, et al.
Published: (2025)
by: Simula, Kristoffer, et al.
Published: (2025)
3-center and 4-center 2-particle Gaussian AO integrals on modern accelerated processors
by: Asadchev, Andrey, et al.
Published: (2024)
by: Asadchev, Andrey, et al.
Published: (2024)
Robust Pipek-Mezey Orbital Localization in Periodic Solids
by: Clement, Marjory C., et al.
Published: (2021)
by: Clement, Marjory C., et al.
Published: (2021)
Comment on "Efficient implementation of the superposition of atomic potentials initial guess for electronic structure calculations in Gaussian basis sets"
by: Surjuse, Kshitijkumar A., et al.
Published: (2026)
by: Surjuse, Kshitijkumar A., et al.
Published: (2026)
Variational Quantum Imaginary Time Evolution for Matrix Product State Ansatz with Tests on Transcorrelated Hamiltonians
by: Li, Hao-En, et al.
Published: (2024)
by: Li, Hao-En, et al.
Published: (2024)
Ground and Excited States from Ensemble Variational Principles
by: Ding, Lexin, et al.
Published: (2024)
by: Ding, Lexin, et al.
Published: (2024)
The Photochemistry of Rydberg Excited Cyclobutanone: Photoinduced Processes and Ground State Dynamics
by: Eng, Julien, et al.
Published: (2024)
by: Eng, Julien, et al.
Published: (2024)
Occupancy Extrapolation: Reaching Many Excited Electronic States from Ground State Calculations
by: Fan, Yichen, et al.
Published: (2026)
by: Fan, Yichen, et al.
Published: (2026)
Revisiting Artifacts of Kohn-Sham Density Functionals for Biosimulation
by: Slattery, Samuel A., et al.
Published: (2024)
by: Slattery, Samuel A., et al.
Published: (2024)
Orbital Energies Are Chemical Potentials in Ground-State Density Functional Theory and Excited-State $Δ$SCF Theory
by: Yang, Weitao, et al.
Published: (2024)
by: Yang, Weitao, et al.
Published: (2024)
Non-iterative Triples for Transcorrelated Coupled Cluster Theory
by: Mörchen, Maximilian, et al.
Published: (2024)
by: Mörchen, Maximilian, et al.
Published: (2024)
Ab Initio Transcorrelated Method enabling accurate Quantum Chemistry on near-term Quantum Hardware
by: Dobrautz, Werner, et al.
Published: (2023)
by: Dobrautz, Werner, et al.
Published: (2023)
Compactification of Determinant Expansions via Transcorrelation
by: Ammar, Abdallah, et al.
Published: (2024)
by: Ammar, Abdallah, et al.
Published: (2024)
Pauli propagation enables fast classical simulation of strongly correlated quantum systems
by: Shrikhande, Chinmay, et al.
Published: (2025)
by: Shrikhande, Chinmay, et al.
Published: (2025)
Full-Dimensional Reactive Potential Energy Surfaces for OCS$^+$ $\rightarrow$ CO+S$^+$ Dissociation: Ground and Excited States
by: Yin, Cangtao, et al.
Published: (2026)
by: Yin, Cangtao, et al.
Published: (2026)
State-Specific Coupled-Cluster Methods for Excited States
by: Damour, Yann, et al.
Published: (2024)
by: Damour, Yann, et al.
Published: (2024)
Compactifying Electronic Wavefunctions I: Error-Mitigated Transcorrelated DMRG
by: Araújo, Bruna G. M., et al.
Published: (2025)
by: Araújo, Bruna G. M., et al.
Published: (2025)
Towards Efficient Quantum Computing for Quantum Chemistry: Reducing Circuit Complexity with Transcorrelated and Adaptive Ansatz Techniques
by: Magnusson, Erika, et al.
Published: (2024)
by: Magnusson, Erika, et al.
Published: (2024)
Real-Space Chemistry on Quantum Computers: A Fault-Tolerant Algorithm with Adaptive Grids and Transcorrelated Extension
by: Feniou, César, et al.
Published: (2025)
by: Feniou, César, et al.
Published: (2025)
Nuclear-Electronic Orbital Multireference Configuration Interaction for Ground and Excited Vibronic States and Fundamental Insights into Multicomponent Basis Sets
by: Malbon, Christopher L., et al.
Published: (2025)
by: Malbon, Christopher L., et al.
Published: (2025)
Qumode-Based Variational Quantum Eigensolver for Molecular Excited States
by: Dutta, Rishab, et al.
Published: (2025)
by: Dutta, Rishab, et al.
Published: (2025)
Ultrafast Excited-State Energy Transfer in Phenylene Ethynylene Dendrimer: Quantum Dynamics with Tensor Network Method
by: Liu, Sisi, et al.
Published: (2024)
by: Liu, Sisi, et al.
Published: (2024)
Similar Items
-
Slimmer Geminals For Accurate F12 Electronic Structure Models
by: Powell, Samuel R., et al.
Published: (2025) -
SeQuant Framework for Symbolic and Numerical Tensor Algebra. I. Core Capabilities
by: Gaudel, Bimal, et al.
Published: (2025) -
"Best" iterative coupled-cluster triples model: More evidence for 3CC
by: Teke, Nakul, et al.
Published: (2024) -
Transcorrelated Methods for Multireference Problems
by: Haupt, J. Philip, et al.
Published: (2025) -
Studies on the Transcorrelated Method
by: Lee, Nicholas, et al.
Published: (2023)