Generalized Energy-Based Fragmentation Approach for Computing the Ground-State Energies and Properties of Large Molecules-Reference-Cited by-同舟云学术

Generalized Energy-Based Fragmentation Approach for Computing the Ground-State Energies and Properties of Large Molecules

Published:2007-02-23 Issue:11 Volume:111 Page:2193-2199
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Li Wei¹,Li Shuhua¹,Jiang Yuansheng¹

Affiliation:

1. School of Chemistry and Chemical Engineering, Institute of Theoretical and Computational Chemistry, Key Laboratory of Mesoscopic Chemistry of Ministry of Education, Nanjing University, Nanjing, 210093, P. R. China

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp067721q

Reference70 articles.

1. A quantitative study of the scaling properties of the Hartree–Fock method

2. Derivation and efficient implementation of the fast multipole method

3. Linear Scaling Density Functional Calculations with Gaussian Orbitals

4. Linear scaling computation of the Hartree–Fock exchange matrix

Cited by 267 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. Predicting structural and spectral properties in a Minor-Groove binder with classical and quantum mechanical calculations;Chemical Physics Letters;2024-12

2. Many-Body Expansion-Based Quantum Mechanical Force Field for Cyclotrimethylene Trinitramine under High Pressure;The Journal of Physical Chemistry Letters;2024-08-12

3. Density‐Based Description of Molecular Polarizability for Complex Systems;Electron Density;2024-07-05

4. Intermolecular interaction energies with AROFRAG–A systematic approach for fragmentation of aromatic molecules;Journal of Computational Chemistry;2024-07

5. Excitation configuration analysis for divide-and-conquer excited-state calculation method using dynamical polarizability;The Journal of Chemical Physics;2024-06-24