orbital - Search - Help
For the best experience, we recommend viewing online help using Google Chrome or Microsoft Edge.

Online Help

All Products    Maple    MapleSim


Search Results: orbital

MolecularOrbitals - Maple Help
... orbitals. A linear combination of H1s and F2pz orbitals creates a bonding σ orbital and antibonding σ∗ orbital. The remaining F1s, F2s, F2px, and F2py ...
MOOccupationsPlot - Maple Help
QuantumChemistry MOOccupationsPlot display 2D plot of the molecular-orbital ... MOOccupationsPlot displays the occupations of the molecular orbitals (MOs).
ActiveSpaceSCF - Maple Help
Vector -- energies of the molecular orbitals. -. Vector -- string label for each atomic orbital consisting of the atomic symbol and the orbital name. -. list ...
ActiveSpaceCI - Maple Help
... orbitals (MOs) known as the active orbitals. Molecular ... Vector -- string label for each atomic orbital consisting of the atomic symbol and the orbital name.
TransitionOrbitalPlot - Maple Help
QuantumChemistry TransitionOrbitalPlot plot a pair of natural transition orbitals of a ground-to-excited-state transition Calling Sequence Parameters ...
Orbit - Maple Help
The Orbits( G ) command returns the set of all orbits of the permutation group G.
AtomicStructure - Maple Help
In 1913 Niels Bohr proposed a model for the hydrogen atom in which electrons rotate around the positively charge nucleus in discrete circular orbits. Each orbit ...
HuckelTheory - Maple Help
... orbital, and is the vector of expansion coefficients for the n-th molecular orbital in terms of the p-z atomic orbitals. In Maple the eigenvalues of the ...
Parametric2RDM - Maple Help
If the frozen keyword is not assigned, then all of the molecular orbitals are considered active, and a parametric 2-RDM calculation with all orbitals is ...
MODiagram - Maple Help
QuantumChemistry MODiagram display 2D plot of the molecular-orbital (MO) energies Calling Sequence Parameters Description Examples Calling Sequence ...