Download New! — Multiwfn 3.8
Many open-source and scientific software projects are hosted on SourceForge, and sometimes Multiwfn might be available there as well. However, ensure you're getting it from the official or a trusted source to avoid any tampered versions.
Analyzes molecular orbital contributions using NAO, Mulliken, SCPA, and Hirshfeld-dominant methods. 4. Surface Analysis and Electrostatics
Which (Gaussian, ORCA, etc.) generated your source files?
Multiwfn 3.8 is highly portable and does not require a complex installation wizard. Choose the binary compiled for your operating system: Operating System Package Type Requirements 64-bit .zip archive
While the complete list of changes is extensive, some of the most impactful new features and improvements in Multiwfn 3.8 include:
Seamlessly perform QTAIM (Quantum Theory of Atoms in Molecules) analysis. Weak Interaction Visualization: multiwfn 3.8 download
(add to ~/.bashrc):
This uses a slower but less memory-intensive ESP evaluation code.
http://multiwfn.codeplex.com/ (Legacy, redirects)
Multiwfn on Google Drive (Often used if the main site is slow). Operating Systems Supported: Windows: 64-bit and 32-bit versions (binary executable).
| 功能 | 描述 | 应用场景 | |------|------|----------| | | 基于电子激发的电子密度极化分析，对理解外部扰动下的电子密度极化本质有重要价值，可用于研究取代基效应、亲电/亲核反应机制、原子极化率等（2025年4月13日新增）。 | 分子极化率研究 | | mIGM/amIGM分析 | 支持改进的IGM分析方法，用于可视研究化学体系中的相互作用。amIGM扩展了mIGM分析到波动环境，可以显示分子动力学模拟中的相互作用，显著优于aNCI方法（2025年2月14日新增）。 | 分子间相互作用分析 | | 高阶波函数分析 | 能够分析高达CCSD(T)、CCSDT、MP5等高阶波函数，基于ORCA 6.1的AUTOCI模块生成的json文件（2025年8月3日新增）。 | 高精度计算 | | 新芳香性指数 | 支持HOMAc和HOMER等新芳香性指数（2025年2月4日新增）。 | 芳香性分析 | | 网格数据处理 | 网格数据处理功能新增子功能19，能够沿不同轴将网格数据平移特定距离（2025年11月20日新增）。 | 空间数据操作 | Many open-source and scientific software projects are hosted
While the software is constantly evolving, the 3.8 series solidified several key capabilities: Topology Analysis:
Tian Lu, Feiwu Chen, Multiwfn: A multifunctional wavefunction analyzer , J. Comput. Chem. , 33 , 580-592 (2012) DOI: 10.1002/jcc.22885
Select the appropriate package depending on whether you run an Intel chip or Apple Silicon. Step 3: Extract and Configure Environment Paths On Windows:
Supported via specific builds for Intel and Apple Silicon. 3. Download the Manual
Which (Gaussian, ORCA, Q-Chem, etc.) are you planning to pair it with? Choose the binary compiled for your operating system:
Computes Hirshfeld, Voronoi Deformation Density (VDD), Becke, Mulliken, and Löwdin atomic charges.
Features like the Independent Gradient Model (IGM) and Non-Covalent Interaction (NCI) index help visualize hydrogen bonding and van der Waals forces. How to Secure a Multiwfn 3.8 Download
Multiwfn 3.8 is highly optimized for performance and resource efficiency, capable of running on modest hardware as well as high-performance computing (HPC) clusters. Operating System Architecture Supported Key Prerequisite 64-bit (Windows 7/10/11) Visual C++ Redistributable Linux 64-bit (Ubuntu, CentOS, RedHat) GNU Compiler Collection (GCC) macOS Intel & Apple Silicon (M1/M2/M3) XQuartz (for graphical plots) How to Download and Install Multiwfn 3.8
You can download the latest version of Multiwfn 3.8 directly from sobereva.com, maintained by the developer. Available Versions
