ArticleJournal of chemical theory and computation2023
Automatic Generation of Accurate and Cost-Efficient Auxiliary Basis Sets.
Article in Journal of chemical theory and computation, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 8 papers.
What it found
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Who cites it
8 citing papers in PubMed.
- Gaussian Basis Sets for All-Electron Excited-State Calculations of Large Molecules.Journal of chemical theory and computation · 2026Article
- Numerical Integration of Slater Basis Functions Over Prolate Spheroidal Grids.Journal of computational chemistry · 2026Article
- Physics-Driven Construction of Compact Primitive Gaussian Density Fitting Basis Sets.Journal of chemical theory and computation · 2025Article
- Automatic Generation of Density-Fitting Auxiliary Basis Sets for All-Electron Dirac-Kohn-Sham Calculations.The journal of physical chemistry. A · 2025Article
- OpenOrbitalOptimizer─A Reusable Open Source Library for Self-Consistent Field Calculations.The journal of physical chemistry. A · 2025Article
- Automatic Generation of Even-Tempered Auxiliary Basis Sets with Shared Exponents for Density Fitting.Journal of chemical theory and computation · 2025Article
- Analytic Gradients for Density Fitting MP2 Using Natural Auxiliary Functions.The journal of physical chemistry. A · 2024Article
- Revisiting Gauge-Independent Kinetic Energy Densities in Meta-GGAs and Local Hybrid Calculations of Magnetizabilities.The journal of physical chemistry. A · 2023Article
Corrections and comments
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Authors and funding
1 author.
Funding
No grant is acknowledged in the PubMed record.
Abstract
We have recently discussed an algorithm to automatically generate auxiliary basis sets (ABSs) of the standard form for density fitting (DF) or resolution-of-the-identity (RI) calculations in a given atomic orbital basis set (OBS) of any form, such as Gaussian-type orbitals, Slater-type orbitals, or numerical atomic orbitals [
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.