On the eve of New Year 2025, we are excited to announce the release of the latest version of Xiamen Valence Bond software, XMVB 4.0! After extensive development, this cutting-edge version is now avalable for use. Users can experience the power of XMVB 4.0 on the XACS cloud computing platform or download it for local installation.

Key Features of XMVB 4.0:

1. Enhanced Performance with INT=RI or INT=COSX keywords:

        Significantly faster VBSCF and BOVB computations, 10x for VBSCF and 5x for BOVB.

        Capable of the molecule up to 1500 basis functions.

2. Geometry Optimization with VBSCF:

        XMVB 4.0 enables highly efficient geometry optimization at VBSCF level

3. Density Functional Valence Bond Methods, including hc-DFVB, λ-DFVB(U) and λ-DFVB(MS)

4. Valence-Bond-Based Compression for Diabatization (VBCAD)

5. Simplified Input File Format (compatible with 3.2 version)

For further details, please refer to the User Manual on our website.

Ongoing Development

The XMVB program continues to evolve, with a focus on delivering superior computational tools for our users. Your feedback is invaluable to us, so please don’t hesitate to reach out with questions or suggestions.

📩 Contact us at: xmvb@xmu.edu.cn

Explore the enhanced capabilities of XMVB 4.0 today, and take your valence bond computations to the next level!