Basis set (chemistry)
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- Arxiv:1808.10402V3 [Quant-Ph] 27 Jan 2020 B
- First-Principles Simulations of Functional Materials for Energy Conversion
- Towards Quantum Chemistry on a Quantum Computer
- Density Functional Theory (DFT) and the Concepts of the Augmented-Plane-Wave Plus Local Orbital (L)APW+Lo Method
- Basis Sets in Quantum Chemistry C. David Sherrill School of Chemistry
- Basis Set Selection for Molecular Calculations
- The University of Chicago Reduced Density Matrices and Tensor Factorizations for Low Cost Quantum Chemistry a Dissertation Submi
- Ab Ini O Hartree-‐Fock Theory
- Arxiv:1808.10402V2 [Quant-Ph] 17 Jan 2019 2
- TDDFT As a Tool in Chemistry II
- The Orbital Approximation: Basis Sets and Shortcomings of Hartree-Fock Theory A. Eugene Deprince Department of Chemistry And
- Arxiv:1807.00704V2 [Physics.Chem-Ph] 1 Aug 2018 Ware by Swapping the Integral Calculator
- Density Functional Theory and the Family of (L)APW-Methods: a Step-By-Step Introduction
- Tensors in Electronic Structure Theory: Basic Concepts and Applications to Electron Correlation Models
- Large-Scale First-Principles Molecular Dynamics Simulations
- Plane Waves (APW) Slater Type Orbitals (STO)
- 5 Density Functional Theory
- Non-Orthonormal Basis Sets