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Most questions that are answered on the Psi4 Forums are answered by a small group of developers and powerusers. Their time and energy is divided between their own research, further Psi development, and helping users. Acc…

3 August 12, 2019
Welcome to the PSI4 Forum! 2 July 16, 2015
Orthogonality constrained density functional theory (OCDFT) and near-edge X-ray absorption (NEXAS) spectra 3 December 5, 2019
AO2SO and SO2AO transformations, spherical functions 12 December 2, 2019
Not an element error: Oganesson 2 November 28, 2019
BSSE calculations 2 November 26, 2019
Spherical averaging of occupied orbitals on atoms 1 November 25, 2019
Regarding CASSCF Calculation 5 November 23, 2019
MP2 natural orbitals for MCSCF 5 November 22, 2019
MP2 polarizability using finite field 3 November 20, 2019
Optimizing the geometry of organometallic molecule, problems 42 November 19, 2019
Force Consistency? 6 November 13, 2019
How to perform excited state calculation with CASSCF 2 November 12, 2019
Scaled opposite spin (SOS) not changing orbital-optimized MP2 (OMP2) 5 November 8, 2019
Plugin FCIDUMP for CheMPS2 9 November 2, 2019
Electron Integrals for Orthogonalized Basis 4 October 31, 2019
Conventional CCSD(T) disk/memory usage? 13 October 28, 2019
Reduce two electron integrals size 2 October 25, 2019
Fock Matrix in Original Basis 6 October 24, 2019
Fatal Error: Timer ccenergy is not on 3 October 23, 2019
Frequency calculations result in `<built-in method X of PyCapsule object at Y> returned NULL without setting an error` 15 October 17, 2019
GPU_DFCC not running due to error 6 October 11, 2019
Solvent Model Calculation 3 October 11, 2019
Sequential calculations in single python function 5 October 9, 2019
The def2-tzvp basis set in psi4 is different from that downloaded from the web of Basis Set Exchange 3 October 9, 2019
Orbital Localization and Post Processing 1 October 5, 2019
Use .xyz file as input coordinate 2 October 5, 2019
Density Fit CCSD(T) with UHF reference? 2 October 3, 2019
How to user-define a DF_BASIS_DCFT basis in PSI4 6 October 3, 2019
Multithreading in downloaded binary distribution 11 November 28, 2019