Saved in:
| Main Authors: | Valeev, Edward F., Shiozaki, Toru |
|---|---|
| Format: | Preprint |
| Published: |
2020
|
| Subjects: | |
| Online Access: | https://arxiv.org/abs/2007.00698 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
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)
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)
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)
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)
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)
Memory-Efficient Recursive Evaluation of 3-Center Gaussian Integrals
by: Asadchev, Andrey, et al.
Published: (2022)
by: Asadchev, Andrey, et al.
Published: (2022)
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)
Response to "Response to 'Comment on Theoretical examination of QED Hamiltonian in relativistic molecular orbital theory'" [J. Chem. Phys. 160, 187102 (2024)]
by: Liu, Wenjian
Published: (2023)
by: Liu, Wenjian
Published: (2023)
Towards Balanced Description of Ground and Excited States with Transcorrelated F12 Methods
by: Masteran, Conner, et al.
Published: (2025)
by: Masteran, Conner, et al.
Published: (2025)
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)
Efficient construction of canonical polyadic approximations of tensor networks
by: Pierce, Karl, et al.
Published: (2022)
by: Pierce, Karl, et al.
Published: (2022)
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)
Four center integrals for Coulomb interactions in small molecules
by: Goldstein, Garry
Published: (2024)
by: Goldstein, Garry
Published: (2024)
Free-particle Green's function matrix elements over spherical Gaussian and plane-wave-modulated Gaussian basis functions
by: Mahato, Dibyendu, et al.
Published: (2026)
by: Mahato, Dibyendu, et al.
Published: (2026)
"Best" iterative coupled-cluster triples model: More evidence for 3CC
by: Teke, Nakul, et al.
Published: (2024)
by: Teke, Nakul, et al.
Published: (2024)
Integrating Classical and Quantum Software for Enhanced Simulation of Realistic Chemical Systems
by: Shiota, Tomoya, et al.
Published: (2025)
by: Shiota, Tomoya, et al.
Published: (2025)
Slimmer Geminals For Accurate F12 Electronic Structure Models
by: Powell, Samuel R., et al.
Published: (2025)
by: Powell, Samuel R., et al.
Published: (2025)
Robust Pipek-Mezey Orbital Localization in Periodic Solids
by: Clement, Marjory C., et al.
Published: (2021)
by: Clement, Marjory C., et al.
Published: (2021)
Quantum effects of Coulomb explosion simulations revealed by time-dependent density-functional theory
by: Taylor, Samuel S., et al.
Published: (2024)
by: Taylor, Samuel S., et al.
Published: (2024)
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)
Hybrid gausslet/Gaussian basis sets
by: Qiu, Yiheng, et al.
Published: (2021)
by: Qiu, Yiheng, et al.
Published: (2021)
An algorithm for atom-centered lossy compression of the atomic orbital basis in density functional theory calculations
by: Lara, Anthony O., et al.
Published: (2025)
by: Lara, Anthony O., et al.
Published: (2025)
Spin-dependent terms of the Breit-Pauli Hamiltonian evaluated with an explicitly correlated Gaussian basis set for molecular computations
by: Jeszenszki, Péter, et al.
Published: (2025)
by: Jeszenszki, Péter, et al.
Published: (2025)
Time-dependent density-functional study of intermolecular Coulombic decay for 2a$_1$ ionized water dimer
by: Wang, Kedong, et al.
Published: (2025)
by: Wang, Kedong, et al.
Published: (2025)
Data-driven complete basis set limit estimates from a minimal auxiliary basis
by: Grimblat, Nicolas, et al.
Published: (2026)
by: Grimblat, Nicolas, et al.
Published: (2026)
Compact Gaussian basis sets for stochastic DFT calculations
by: Fabian, Marcel David, et al.
Published: (2025)
by: Fabian, Marcel David, et al.
Published: (2025)
Real-time nuclear-electronic orbital time-dependent density functional theory with a constrained traveling proton basis
by: Boyer, Nicholas J., et al.
Published: (2026)
by: Boyer, Nicholas J., et al.
Published: (2026)
Doubly screened Coulomb correction approach for strongly correlated systems
by: Liu, Bei-Lei, et al.
Published: (2023)
by: Liu, Bei-Lei, et al.
Published: (2023)
Predicting electronic screening for fast Koopmans spectral functional calculations
by: Schubert, Yannick, et al.
Published: (2024)
by: Schubert, Yannick, et al.
Published: (2024)
Time-dependent Gaussian basis sets for many-body systems using Rothe's method: A mean-field study
by: Schrader, Simon Elias, et al.
Published: (2025)
by: Schrader, Simon Elias, et al.
Published: (2025)
Fast emulation of fermionic circuits with matrix product states
by: Provazza, Justin, et al.
Published: (2023)
by: Provazza, Justin, et al.
Published: (2023)
Time evolution as an optimization problem: The hydrogen atom in strong laser fields in a basis of time-dependent Gaussian wave packets
by: Schrader, Simon Elias, et al.
Published: (2024)
by: Schrader, Simon Elias, 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)
Ultrafast photodissociation dynamics of dichloromethane on three-dimensional potential energy surfaces and its Coulomb explosion signature
by: Ding, Yijue
Published: (2025)
by: Ding, Yijue
Published: (2025)
Capturing spin chain dynamics with periodically projected time-dependent basis
by: Chuang, Grace Hsiao-Han, et al.
Published: (2023)
by: Chuang, Grace Hsiao-Han, et al.
Published: (2023)
Relativistic Core-Valence-Separated Molecular Mean-Field Exact-Two-Component Equation-of-Motion Coupled Cluster Theory: Applications to L-edge X-ray Absorption Spectroscopy
by: Banerjee, Samragni, et al.
Published: (2025)
by: Banerjee, Samragni, et al.
Published: (2025)
Approximations of the Iterative Stockholder Analysis scheme using exponential basis functions
by: Cheng, YingXing, et al.
Published: (2024)
by: Cheng, YingXing, et al.
Published: (2024)
A bivariational, stable and convergent hierarchy for time-dependent coupled cluster with adaptive basis sets
by: Højlund, Mads Greisen, et al.
Published: (2024)
by: Højlund, Mads Greisen, et al.
Published: (2024)
Relativistic coupled cluster with completely renormalized and perturbative triples corrections
by: Yuwono, Stephen H., et al.
Published: (2024)
by: Yuwono, Stephen H., et al.
Published: (2024)
Similar Items
-
3-center and 4-center 2-particle Gaussian AO integrals on modern accelerated processors
by: Asadchev, Andrey, et al.
Published: (2024) -
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) -
Implementation of McMurchie-Davidson algorithm for Gaussian AO integrals suited for SIMD processors
by: Asadchev, Andrey, et al.
Published: (2025) -
Robust approximation of tensor networks: application to grid-free tensor factorization of the Coulomb interaction
by: Pierce, Karl, et al.
Published: (2020) -
Physics-Driven Construction of Compact Primitive Gaussian Density Fitting Basis Sets
by: Surjuse, Kshitijkumar A., et al.
Published: (2025)