22 results on '"electron correlation"'
Search Results
2. Theoretical study of the protonation of square-planar palladium(II) complexes. Assessment of basis set and correlation effects
3. Statistical electron correlation — coefficients and — holes in molecules
4. Comparison of the Hartree-Fock, Møller-Plesset, and Hartree-Fock-Slater method with respect to electrostatic properties of small molecules: Effects of electron correlation
5. Electron densities from the Brueckner Doubles method
6. On the optimisation of exponents ofd andf polarisation functions for first row atoms
7. Differential density matrix overlap: an index for assessment of electron correlation in atoms and molecules
8. Second-order Green's function calculations of the ionization potential of a (H2)7 chain embedded in a homogeneous electric field
9. The spin polarization model for hyperfine coupling constants
10. Some investigations of the MP2-R12 method
11. Charge and radial correlations in helium and helium-like atoms
12. Studies in the paired orbital method: II. The energy expression and its derivatives with respect to the nonlinear parameters
13. Comparison of CEPA and CP-MET methods
14. Chemical binding and electron correlation in diatomic molecules as described by the FORS model and the FORS-IACC model
15. Semiempirical NDDO calculations with STO-3G and 4-31G basis sets
16. A constant denominator perturbation theory for molecular energy
17. An investigation of the reliability of the Galerkin-Petrov method: II. Ground-state of the beryllium atom
18. Crucial role of electron correlation in both the upper and lower states in optical transitions
19. Theoretical study of PO and PO−
20. Many-body perturbation theory for open-shell systems. Expansion through fourth-order
21. Comparison of CEPA and CP-MET methods
22. Ab initio calculations on small hydrides including electron correlation: IX. Equilibrium geometries and harmonic force constants of HF, OH−, H2F+ and H2O and proton affinities of F−, OH−, HF and H2O
Catalog
Books, media, physical & digital resources
Discovery Service for Jio Institute Digital Library
For full access to our library's resources, please sign in.