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Unable to find a basis set for Iodine atom
(5)
Dihedral Angle for Ethylene Glycol
(4)
Print gradient contributions by separate in CCSD(T)
(1)
Finite difference step for frequency calculation
(3)
PCM solver doesn't allow CP correction?
(4)
Capturing energy components as return structure in SAPT calculations in Python
(5)
PSI4 run time error: <module> exec(content)
(2)
F/I-SAPT for (formally) open-shell fragments
(1)
Confirmation for how CBS is computed
(3)
Energy from integrals and density matrices does not match output
(3)
Is it possible to calculate transition dipole moments with ADC(2)
(3)
Dropping highest virtual MOs in post-HF, in particular ADC(2), calculations
(3)
Valence density cube file
(4)
Question on oscillator strength calculation using python API
(2)
SAPT0 job fail,I am a beginner
(2)
Looking for basis set BVWN5
(6)
Errors in CCSD(T) calculations
(2)
Transition metal optimization
(3)
Thermochemical analysis with DF-CCSD(T)?
(7)
SAPT Memory Problem
(6)
Thermodynamic Analysis
(2)
NameError: name 'wfn' is not defined
(4)
Reading Existing Wfn files
(4)
Basic psi4numpy question for the DFT potential
(6)
F-SAPT analysis of heavy-metal containing molecules
(1)
Definitions of the Energy Terms
(2)
SAPT charge transfer input file
(1)
Getting syntax error in sapt charge transfer input file
(2)
Iterations do not converge
(13)
Using internal functions of PCMsolver from psi4 (getting surface functions)
(4)
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