Revisiting the Atomic Natural Orbital Approach for Basis Sets: Robust Systematic Basis Sets for Explicitly Correlated and Conventional Correlated ab initio Methods?-Reference-Cited by-同舟云学术

Revisiting the Atomic Natural Orbital Approach for Basis Sets: Robust Systematic Basis Sets for Explicitly Correlated and Conventional Correlated ab initio Methods?

Published:2010-12-03 Issue:1 Volume:7 Page:33-43
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Neese Frank¹,Valeev Edward F.¹

Affiliation:

1. Lehrstuhl für Theoretische Chemie, Universität Bonn, Wegelerstr. 12,D-53115 Bonn, Germany, and Department of Chemistry, Virginia Tech, Blacksburg, Virginia 24061-0001, United States

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct100396y

Reference65 articles.

1. Rates of convergence of the partial‐wave expansions of atomic correlation energies

2. r 12-Dependent terms in the wave function as closed sums of partial wave amplitudes for large l

3. Quantitative quantum chemistry

4. Basis-set convergence of correlated calculations on water

5. Basis-set convergence in correlated calculations on Ne, N2, and H2O

Cited by 285 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Key Role of Density Functional Approximation in Predicting M–N–C Catalyst Activities for Oxygen Reduction;The Journal of Physical Chemistry C;2024-09-13

2. Pyrolytic conversion of glucose into hydroxymethylfurfural and furfural: Benchmark quantum‐chemical calculations;Journal of Computational Chemistry;2024-09-09

3. Beryllium as a Base: Complexes of Be(CO)₃ with HX (X=F, Cl, Br, CN, NC, CCH, OH);ChemPhysChem;2024-08-26

4. Kinetics and Thermochemistry of Hydroxyacetonitrile (HOCH₂CN) and Its Reaction with Hydroxyl Radical;ACS Earth and Space Chemistry;2024-08-20

5. Efficient Generation of Torsional Energy Profiles by Multifidelity Gaussian Processes for Hindered Rotor Corrections;Journal of Chemical Theory and Computation;2024-08-20