Enhanced static approximation to the electron self-energy operator for efficient calculation of quasiparticle energies

A study of the AMO method as applied to

A study of the AMO method as applied to the lithium metal. III. A method for calculating the total electronic energy of crystals in the LCAO approximation

✍ Gunnar Sperber 📂 Article 📅 1973 🏛 John Wiley and Sons 🌐 English ⚖ 431 KB

## Abstract A method is given for accurate calculation of the expectation value of the Hamiltonian of a crystal with respect to a single‐determinant wave function of LCAO type. The method is partly based on numerical integration over one Wigner‐Seitz cell. In principle, the calculations involve inf