Abstract
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Yasuaki Ito, Haruto Fujii, Satoki Tsuji, Koji Nakano, Akihiko Kasagi
Abstract
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Unresolved referenced work
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Improved SCF convergence acceleration
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10.1103/physrev.140.a1133 · doi-reference
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10.1063/1.1740120 · doi-reference
New developments in molecular orbital theory
10.1103/revmodphys.23.69 · doi-reference
Avogadro: an advanced semantic chemical editor, visualization, and analysis platform
10.1186/1758-2946-4-17 · doi-reference
MOrbVis: browser-based molecular orbital visualization with WebGPU-Accelerated on-the-fly evaluation
10.1021/acsomega.6c04162 · doi-reference
Molden: a pre- and post-processing program for molecular and electronic structures
10.1023/a:1008193805436 · doi-reference
Balanced Basis sets of split Valence, triple zeta Valence and quadruple zeta Valence quality for H to RN: design and assessment of accuracy
10.1039/b508541a · doi-reference
Electron affinities of the first-row atoms Revisited. Systematic Basis sets and wave functions
10.1063/1.462569 · doi-reference
Gaussian Basis sets for use in correlated molecular Calculations. I. the atoms boron through neon and hydrogen
10.1063/1.456153 · doi-reference
Self-consistent molecular orbital Methods. XII. further extensions of Gaussian-type Basis sets for use in molecular orbital studies of organic molecules
10.1063/1.1677527 · doi-reference
Self-consistent molecular orbital Methods. I. use of Gaussian expansions of slater-type atomic orbitals
10.1063/1.1672392 · doi-reference
A multicenter numerical integration scheme for polyatomic molecules
10.1063/1.454033 · doi-reference
Integral approximations for LCAO-SCF calculations
10.1016/0009-2614(93)89151-7 · doi-reference
A simple yet powerful upper bound for Coulomb integrals
10.1016/0009-2614(93)e1340-m · doi-reference
Evaluation of molecular integrals over Gaussian Basis functions
10.1063/1.432807 · doi-reference
Efficient recursive computation of molecular integrals over cartesian Gaussian functions
10.1063/1.450106 · doi-reference
One- and two-electron integrals over cartesian Gaussian functions
10.1016/0021-9991(78)90092-x · doi-reference
GANSU: a GPU-native quantum chemistry framework for efficient hartree–fock and Post-HF calculations
10.3390/eng7050205 · doi-reference
Mol* viewer: modern web app for 3D visualization and analysis of large biomolecular structures
10.1093/nar/gkab314 · doi-reference
3Dmol.js: molecular visualization with WebGL
10.1093/bioinformatics/btu829 · doi-reference
Jmol — a paradigm shift in crystallographic visualization
10.1107/s0021889810030256 · doi-reference