# SEARCH

** Ab initio calculations electron correlation effects **

** Atomic calculations, convergence with correlation consistent basis **

** B3-LYP exchange-correlation functional calculating structural parameters **

** B3-LYP exchange-correlation functional reliability of calculated relative energies **

** B3LYP calculations systematic correlation error **

** B97, exchange-correlation functionals calculating structural parameters **

** Basis functions in correlation calculations **

** Basis sets convergence of correlated calculations **

** Calculated charge distributions and correlations with solid state **

** Calculation polymer-correlation energy **

** Complete basis set calculations, electron correlation **

** Core correlation, calculations **

** Correlated calculations 574 INDEX **

** Correlated calculations model potential issues **

** Correlated calculations on molecules with **

** Correlated calculations reference state **

** Correlated calculations role of negative-energy states **

** Correlation between calculated and **

** Correlation calculated descriptor **

** Correlation coefficient Excel function for calculating **

** Correlation energy calculation on polymers **

** Correlation energy cost of calculations **

** Correlation energy finite basis set HF calculations **

** Correlation energy variational-perturbation calculations **

** Correlation function, calculation **

** Correlation functions trial wavefunction calculations **

** Correlation levels, calculations **

** Correlation test calculation and results **

** Correlations from DFT calculations **

** Coupled-cluster theory, electron correlation configuration interaction calculations **

** Coupling factor correlation time calculation **

** Debye correlation function, calculation **

** Differential correlation energy calculations **

** Dynamic correlation CASSCF/CASPT2 calculations **

** Dynamic correlation calculations **

** Electron Correlation on Calculated Infrared Intensities **

** Electron correlation and post-HF calculations **

** Electron correlation calculations **

** Electron correlation calculations Pauli exclusion principle **

** Electron correlation effect shielding calculations of small molecules **

** Electron correlation treatments in MO calculations **

** Electron correlation, intermolecular interaction ab initio calculations **

** Electron-correlated calculations, nuclear **

** Electron-correlated calculations, nuclear applications **

** Electron-correlated calculations, nuclear chemical shifts **

** Electron-correlated calculations, nuclear density functional theory **

** Electron-correlated calculations, nuclear independence **

** Electron-correlated calculations, nuclear magnetic resonance chemical **

** Electron-correlated calculations, nuclear presence **

** Electron-correlated calculations, nuclear shifts **

** Electron-correlated level calculations **

** Electronic structure electron correlation calculations **

** Equal time density correlation function calculation **

** Gaussian basis sets for correlated calculations **

** Gaussian methods correlated calculations **

** Hartree-Fock calculation and electron correlation **

** Hartree-Fock calculations electron correlation **

** Hartree-Fock calculations finite basis set, for electron correlation **

** Hartree-Fock calculations for exchange-correlation energy **

** Heat of formation calculations correlation energy **

** Local correlation approach, in calculations **

** MP2 perturbation calculation Correlation energy **

** Molecules, small electron-correlated calculations **

** Nuclear magnetic resonance chemical shifts, electron-correlated calculations **

** Nuclear magnetic resonance correlation with theoretical calculations **

** Nuclear shieldings correlation between calculated and **

** Orbital calculations on molecules with correlation consistent basis **

** Organic molecules electron-correlated calculations **

** Polarized basis correlated calculations **

** Positive-energy states use in correlated calculations **

** Post-HF calculations electron correlation **

** Post-Hartree-Fock Calculations Electron Correlation **

** Reaction mechanisms electron correlation calculations **

** Selected Correlation Energy Calculations on Polymers **

** Self-consistent calculations for pair correlations **

** Shielding electron-correlated calculations for **

** Size-consistent calculations, electron correlation **

** Size-consistent calculations, electron correlation configuration interaction **

** Spin correlations between neighboring sites calculations **

** State correlation diagrams quantum chemical calculations **

** The Calculation of Time Correlation Functions and Static Properties **

** Translational orientational correlations calculations **

** Variational calculations wave function expansion, correlation **

** Velocity correlation coefficients calculation **