We are pleased
to announce the official release of the latest version of the Xiamen Valence
Bond (XMVB) program — XMVB 4.1! Users can now experience XMVB 4.1 online
through the XMVB cloud computing platform or download and install it locally.
Key New Features:
1. Added VBPT2 method based on the low-rank integral
approximation (activated by combining INT=RI
and VBPT2 keywords).
2. Added VBPT2 method based on the cumulant
approximation with keyword CUVBPT2.
3. Core freezing and basis function reorganization
functionality are now available with keyword BPREP.
4. The valence bond block-diagonal diabatization
method is now supported with keyword VBBDA=X.
5. Support for calculations under point charge
environments (with keyword POINTS) and
external electric fields (by keyword EVEC).
6. Fixed bugs in several features from the previous
version (such as Newton-based VBSCF, VBCAD, VBCI, VBPT2, etc.), enhancing
computational stability.
For more
details, please refer to the user manual on our website https://xmvb.xmu.edu.cn/docs/xmvb/.
The XMVB
program is continuously under development. We are committed to providing users
with outstanding computational tools. Your feedback is invaluable to us. If you
have any questions or suggestions, please feel free to contact us.
Contact Email: xmvb@xmu.edu.cn
Explore the enhanced features of XMVB 4.1 today and embark on a new valence bond computing experience!
主要更新特性：
1.
新增基于低秩积分算法的VBPT2方法（通过联合使用INT=RI和VBPT2关键词调用）。
2.
新增基于cumulant近似的VBPT2方法（使用CUVBPT2关键词）。
3.
冻芯及基函数重组功能现已开放使用（使用BPREP关键词）。
4.
价键块对角透热化方法现已可用（使用VBBDA=X关键词）。
5.
支持点电荷（使用POINTS关键词）和外电场（使用EVEC关键词）环境下的计算。
6.
修复了上个版本中部分功能（如基于牛顿法的VBSCF、VBCAD、VBCI、VBPT2等）存在的程序错误，增强了计算的稳定性。
更多详情，请访问我们网站上的用户手册 https://xmvb.xmu.edu.cn/docs/xmvb/。
XMVB程序仍在不断研发中。我们致力于为用户提供卓越的计算工具。您的反馈对我们至关重要。如有任何问题或建议，请随时与我们联系。
联系邮箱：xmvb@xmu.edu.cn
立即探索XMVB 4.1的增强功能，开启全新的价键计算体验！