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Multiwfn official website: http://sobereva.com/multiwfn. Multiwfn forum in Chinese: http://bbs.keinsci.com/wfn

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Topic	Forum	Replies	Last post
1 Permanent address of latest binary package and source code of Multiwfn by sobereva	Multiwfn and wavefunction analysis	0	2026-08-22 17:33:41 by sobereva
2 Reasonableness of wB97XD for wavefunction analyses by sobereva	Multiwfn and wavefunction analysis	0	2026-06-12 22:42:00 by sobereva
3 FX175-ωPBE in orca by sid	Quantum Chemistry	0	2026-03-10 09:47:16 by sid
4 Electron density difference plot - help! by meurglys	Multiwfn and wavefunction analysis	0	2026-03-06 13:36:06 by meurglys
5 Applying Marcus theory by QM calculation by wham09	Quantum Chemistry	0	2026-03-04 10:08:49 by wham09
6 Multiwfn 3.8 has been formally released! by sobereva	Multiwfn and wavefunction analysis	0	2026-01-11 22:58:47 by sobereva
7 How to obtain Pauli repulsion in QTAIM analysis? by saeed_E	Quantum Chemistry	0	2025-10-09 03:09:54 by saeed_E
8 The way of generating excited state wavefunction file for ORCA by sobereva	Multiwfn and wavefunction analysis	0	2025-09-02 10:26:23 by sobereva
9 Analyzing CCSD(T) and CCSDT wavefunctions of ORCA has been supported! by sobereva	Multiwfn and wavefunction analysis	0	2025-08-02 16:48:59 by sobereva
10 Electron density polarization analysis based on electron excitations by sobereva	Multiwfn and wavefunction analysis	0	2025-04-13 01:54:53 by sobereva
11 Transition between excited states density by aerospace	Quantum Chemistry	0	2025-03-13 11:59:45 by aerospace
12 HOMAc and HOMER aromaticity indices have been supported in Multiwfn by sobereva	Multiwfn and wavefunction analysis	0	2025-02-04 20:09:04 by sobereva
13 Studying H atom in the formation of H-bond by sobereva	Multiwfn and wavefunction analysis	0	2025-01-31 10:10:28 by sobereva
14 The 9th Multiwfn workshop was held successfully! (18-22, Dec-2024) by sobereva	Multiwfn and wavefunction analysis	0	2024-12-24 00:57:42 by sobereva
15 FOD analysis has been supported in Multiwfn by sobereva	Multiwfn and wavefunction analysis	0	2024-11-16 20:02:31 by sobereva
16 Sticky: !!! 2024 introduction paper of Multiwfn has been published on JCP !!! by sobereva	Multiwfn and wavefunction analysis	0	2024-08-27 12:51:53 by sobereva
17 Integrate electron density difference in its isosurfaces by sobereva	Multiwfn and wavefunction analysis	0	2024-07-26 18:20:39 by sobereva
18 Two important updates on the function of exporting .47 file by sobereva	Multiwfn and wavefunction analysis	0	2024-07-12 10:27:53 by sobereva
19 Multiwfn now is able to calculate C6 dispersion coefficient by sobereva	Multiwfn and wavefunction analysis	0	2024-05-16 05:00:58 by sobereva
20 Update on MBIS implementation by sobereva	Multiwfn and wavefunction analysis	0	2024-05-09 22:53:58 by sobereva
21 electrical conductivity (σ) and adsorbent recovery time calculations by RajaRgm	Quantum Chemistry	0	2024-04-15 04:19:32 by RajaRgm
22 Electrophilic frontier density plot by Jwk	Multiwfn and wavefunction analysis	0	2023-11-06 04:16:17 by Jwk
23 Descriptor using Codessa Software by Zubair Sadiq	Quantum Chemistry	0	2023-10-28 07:08:31 by Zubair Sadiq
24 good practice in computing atomic free volume and polarizability by amin.alibakhshi@hotmail.c	Multiwfn and wavefunction analysis	0	2023-07-04 11:56:55 by amin.alibakhshi@hotmail.c
25 A question about the linear response theory? by choconostle123	Quantum Chemistry	0	2023-03-15 20:59:06 by choconostle123
26 Questions regarding energy decomposition through extralink 608 by G16 by saeed_E	Quantum Chemistry	0	2023-02-27 16:37:58 by saeed_E
27 first hyperpolarizability and nonlinear absorption coefficient by choconostle123	Multiwfn and wavefunction analysis	0	2022-06-14 17:21:06 by choconostle123
28 Generating natural orbitals for states solved by SF-TDDFT of ORCA by sobereva	Multiwfn and wavefunction analysis	0	2022-04-20 19:47:05 by sobereva
29 Multiwfn now supports electronic excitation analysis for CP2K users by sobereva	Multiwfn and wavefunction analysis	0	2022-02-14 04:42:50 by sobereva
30 Paper of IGMH has been published on J. Comput. Chem.! by sobereva	Multiwfn and wavefunction analysis	0	2022-02-03 11:37:16 by sobereva

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