XEDA Documentation

Note

Both XEDA II and XEDA(GAMESS) are available in XMVB cloud computing.

You can download the pdf documentation for XEDA II and XEDA(GAMESS) from following links:

XEDA II documentation (English)

XEDA II documentation (中文)

XEDA(GAMESS) documentation

Citation

The user needs to cite the following references of XEDA II:

1. Su, P.; Jiang, Z.; Chen, Z.; Wu, W. Energy Decomposition Scheme Based on the Generalized Kohn–Sham Scheme. The Journal of Physical Chemistry A 2014, 118 (13), 2531–2542.

2. Tang, Z.; Song, Y.; Zhang, S.; Wang, W.; Xu, Y.; Wu, D.; Wu, W.; Su, P. XEDA, a Fast and Multipurpose Energy Decomposition Analysis Program. Journal of Computational Chemistry 2021, 42 (32), 2341–2351.

3. Zhang, Y.; Yan, L.; Wu, W.; Su, P. Energy Decomposition Analysis Method Using Density Matrix Formulation. The Journal of Chemical Physics 2024, 160 (17), 174101.