2.0.1
  • 1. HORTON Overview
  • 2. Citing HORTON
  • 3. License Information
  • 4. Contact Information

User documentation

  • 1. Download and Installation
  • 2. Getting Started
  • 3. Hamiltonians
    • 3.1. Molecular Hamiltonians
    • 3.2. Defining a model Hamiltonian
    • 3.3. Dumping/Loading a Hamiltonian to/from a file
  • 4. Electronic Structure Methods
  • 5. Post-processing
  • 6. Other Topics

Technical stuff

  • 1. Developer Documentation
  • 2. Reference Documentation
  • 3. API Documentation
HORTON
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  • 3. Hamiltonians
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3. HamiltoniansΒΆ

  • 3.1. Molecular Hamiltonians
    • 3.1.1. Specifying the molecular geometry
      • 3.1.1.1. Reading the molecular geometry from file
      • 3.1.1.2. Constructing a molecular geometry from scratch
    • 3.1.2. Specifying the basis set
      • 3.1.2.1. Unique basis set for all atoms
      • 3.1.2.2. Specifying different basis sets for different atoms
      • 3.1.2.3. Loading custom basis sets from file
      • 3.1.2.4. Defining basis sets with Python code
      • 3.1.2.5. Loading geometry and basis set info from one file
    • 3.1.3. Computing (Hamiltonian) matrix elements
  • 3.2. Defining a model Hamiltonian
    • 3.2.1. Supported features
    • 3.2.2. The Hubbard model Hamiltonian
      • 3.2.2.1. Preliminaries
      • 3.2.2.2. Defining the Hamiltonian and boundary conditions (open or periodic)
      • 3.2.2.3. Filling the lattice
      • 3.2.2.4. Generate initial guess orbitals and overlap matrix
    • 3.2.3. Example Python script
      • 3.2.3.1. Restricted Hartree-Fock calculations using the 1-dim Hubbard model Hamiltonian with PBC
  • 3.3. Dumping/Loading a Hamiltonian to/from a file
    • 3.3.1. HORTON’s internal format
      • 3.3.1.1. Dumping
      • 3.3.1.2. Loading
    • 3.3.2. FCIDUMP format
      • 3.3.2.1. Dumping
      • 3.3.2.2. Loading
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Documentation for HORTON 2.0.1 built from release 2.0.1 (Jun 17, 2016).

© Copyright 2011-2015, The HORTON Development Team. Last updated on Jun 17, 2016.

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