SEARCH Articles Figures Tables Ab Initio LCAO-MO Methods An Ab Initio HF-LCAO Calculation Approximate LCAO Methods Atomic Orbital, Linear Combination LCAO) Atomic orbitals linear combinations (LCAO Basis Sets and Pseudopotentials in Periodic LCAO Calculations Benzene. LCAO Bloch Sum Basis Set - The LCAO Method Combination of Atomic Orbitals (LCAO) Comparison of Simple VB AND LCAO Treatments Crystal orbitals from Bloch functions (LCAO CO method) Density LCAO approximation Density-functional LCAO Methods for Solids Ethylene by the LCAO Method Ethylene, LCAO model Extension of the LCAO Treatment to Crystalline Solids Gaussian Form of Effective Core Potentials and Valence Basis Sets in Periodic LCAO Calculations Gaussian basis sets electronic structure calculation. LCAO HF-LCAO HF-LCAO (Hartree Fock Linear model Hartree LCAO approximation Hartree-Fock LCAO Method for Periodic Systems Hartree-Fock LCAO calculation Hartree-Fock-Roothaan LCAO method Hartree-Fock-Slater LCAO calculations Huckel LCAO Huckel LCAO approximation Implementation of Kohn-Sham LCAO Method in Crystals Calculations Improvement of the LCAO MO Interpretation of the LCAO-MO-SCF Eigenvalues Introduction to LCAO-MO Theory KS-LCAO KS-LCAO (Kohn-Sham Linear Model Kohn-Sham LCAO Method for Periodic Systems Kohn-Sham equations LCAO method LCAO (linear combination LCAO (linear combination of atomic LCAO (linear combination of atomic orbitals LCAO Approximation LCAO Calculations of Perfect-crystal Properties LCAO MO SCF LCAO MOs LCAO Model LCAO SCF molecular orbitals LCAO ansatz LCAO approach LCAO approximation calculations LCAO bonding orbitals LCAO calculation LCAO coefficients LCAO crystal orbital method LCAO expansion LCAO from atomic orbitals to bands LCAO method LCAO method atomic orbitals LCAO method, definition LCAO techniques LCAO theory LCAO-MO (linear combination of atomic LCAO-MO (linear combination of atomic orbitals-molecular orbital LCAO-MO approach LCAO-MO description LCAO-MO model LCAO-MO theory LCAO-MO wave function LCAO-MO-SCF calculations LCAO-MO-SCF equation LCAO-Naherung LCAO-SCF molecular orbital LCAOs LCAOs LCAOs (linear combinations of atomic Linear LCAO) Linear combination of atomic orbitals LCAO model) Linear combination of atomic orbitals LCAO) approximation Linear combination of atomic orbitals LCAO) method Linear combination of atomic orbitals LCAO-MO) Linear combinations of atomic orbitals LCAOs) Linear-combination-of-atomic-orbitals LCAO) approach Linear-scaling DFT LCAO Methods for Solids Localized Orbitals for Valence Bands LCAO approximation MO LCAO coefficients MO-LCAO approximation MO-LCAO method Molecular orbital LCAO approximation Molecular orbital methods LCAO approximation Molecular orbital theory LCAO method (linear combination Molecular orbital theory: LCAOs Molecular orbitals LCAO method Molecular orbitals LCAO method (linear combination Orbitals LCAO method (linear combination Orbitals LCAO model Orbitals. The LCAO Method Orthogonalized LCAO method Practical problems in the SCF LCAO MO method Qualitative LCAO Band Structures Relativistic LCAO Methods for Periodic Systems Restricted Hartree-Fock LCAO Method for Crystals Roothaans LCAO Hartree-Fock Equation SCF LCAO SCF LCAO CO equations Semiempirical LCAO Methods for Molecules and Periodic Systems Semiempirical LCAO Methods in Cyclic-cluster Model Semiempirical LCAO methods Silicon LCAO bands Spectroscopy LCAO) Symmetry-adapted LCAO method The General LCAO Case The General LCAO Method The Hartree-Fock-Roothaan method (SCF LCAO MO) The LCAO Bands The LCAO Basis Set Approach The LCAO Expansion The LCAO Model The LCAO Procedure The LCAO-MO-SCF Equation The LCAO-Molecular Orbital Model The MO-LCAO Approximation The SCF-LCAO-MO Method and Extensions