Welcome to the PSI4 Forum! [Uncategorized] (2)
Problems with Wavefunction object and fchk() interface [Uncategorized] (16)
Orbital localization on a dimer system [Uncategorized] (2)
FNO-CCSD(T) for UHF reference [feature-request] (1)
Confusion About Threading [Uncategorized] (5)
How to verify executables from downloads page? [Uncategorized] (2)
Is there a solvent model in SAPT0 energy decomposition? [Uncategorized] (6)
RI-MP2/def2-tzvppd convergence issue for calculations with iodide ( 2 ) [Uncategorized] (27)
How to output localized orbitals in cube file format? [Uncategorized] (3)
Forces on atoms [Uncategorized] (4)
Basis functions evaluation on a user-defined grid [Uncategorized] (1)
How to generate the torsion, angle and bond parameters [Uncategorized] (2)
Calculate the RESP and AM1-BCC charges of a molecule [Uncategorized] (4)
Optimizing (nonstationary) conformations along a manual dihedral angle scan [Uncategorized] (9)
How do I prevent Psi from changing my geometry? [Uncategorized] (7)
How to tansform densities onto grids? [Psi4Education] (3)
How to put the AM1-BCC charges to the input file [Uncategorized] (2)
How to use b3lyp and aug-cc-pvdz together [Uncategorized] (2)
How to read a already generated Wavefunction from .wfn file [Uncategorized] (4)
When does Psi4 support TDDFT calculations? [Uncategorized] (3)
How to get electronic integral [Uncategorized] (3)
What is the syntax for the Da function? [Uncategorized] (3)
Exchange and Coulomb components in HF energy [Uncategorized] (9)
How to calculate DFA1@DFA2 [Uncategorized] (6)
Molden occupancies issue [Uncategorized] (5)
Difference between two types of SAPT [build] (1)
Boys orbital localization [Uncategorized] (5)
A detailed article on SAPT is requested [build] (1)
B3LYP segmentation fault [Uncategorized] (4)
About the concept of energy decomposition [build] (12)