## A Study of the Orbital Correction Method |

### What people are saying - Write a review

We haven't found any reviews in the usual places.

### Contents

PERTURBATION METHODS | 5 |

Figure 11 Schematic Representation of Relation | 12 |

Figure 12 Change in Eigenvalues as Strength | 24 |

Copyright | |

16 other sections not shown

### Common terms and phrases

accuracy argon atomic polarizability basis functions bessel functions bond angles bond length cartesian coordinates chapter character table CN CN CN H constant continuum contribution convergence defined differential equation differential equation approach differential equation method dipole direct and exchange eigenfunctions eigenvalue electric field equilibrium bond length equilibrium position evaluated exact exchange corrections exchange potential expansion exponential region first-order Gaunt coefficient Green's function H CN Hamiltonian Hartree Hartree-Fock calculations Hartree-Fock results helium hence homogeneous solution hydrogen bound hydrogen fluoride inhomogeneous integrals internal coordinates irreducible representation iteration Kohn-Sham wavefunctions methane molecular calculations molecule neon and argon normal modes nuclei number of bound OPW approximation OPW method orbitals order wavefunctions orthogonality theorem parameter perturbation theory plane waves polarizability procedure proton proton potential pseudopotential screening potential second order energy secular determinant self-consistent solutions solved spherical harmonics symmetry operations truncate vibrational frequencies wavefunction correction yields zero