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How to align the atomic orbitals between pyscf and psi4
CCEOM can find root energies by irrep in C2v but not in Cs
LDA potential in real space: should be diagonal?
Segmentation fault error running the basic H2O scf energy example
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Defining the origin of a cube file
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Defining the origin of a cube file
LDA potential in real space: should be diagonal?
CCEOM can find root energies by irrep in C2v but not in Cs
How to align the atomic orbitals between pyscf and psi4
Segmentation fault error running the basic H2O scf energy example
build
Threading and Parallelism
build
Optimizing Organometallic Complexes (lmax_exceeded -- angular momentum limit exceeded)
Geometry Optimization
About the validity of SAPT0 with a "discontinuous" monomer
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Installing Psi4 for Matlab use
Plotting XC potential in real space
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