2.2.2. Input files for UHFr¶
In this section, the input files (*.def) used in H-wave are described. They are divided into two types.
Hamiltonian
The Hamiltonian is given in the form of interactions of the electron system. They are defined in these files.
Trans gives the one-body part expressed by \(c_{i\sigma_1}^{\dagger}c_{j\sigma_2}^{\phantom{\dagger}}\).InterAll gives the generalized two-body interactions expressed by \(c_ {i \sigma_1}^{\dagger} c_{j\sigma_2}^{\phantom{\dagger}} c_{k \sigma_3}^{\dagger} c_{l \sigma_4}^{\phantom{\dagger}}\).Besides, we can specify by the following keywords the interactions that are frequently used.CoulombIntra gives the on-site Coulomb interaction expressed by \(n_{i \uparrow} n_{i \downarrow}\), where \(n_{i \sigma} = c_{i\sigma}^{\dagger} c_{i\sigma}^{\phantom{\dagger}}\).CoulombInter gives the inter-site Coulomb interaction expressed by \(n_{i} n_{j}\), where \(n_i = n_{i\uparrow} + n_{i\downarrow}\).Hund gives the Hund interaction expressed by \(n_{i\uparrow} n_{j\uparrow} + n_{i\downarrow} n_{j\downarrow}\).PairHop gives the pair-hop interaction expressed by \(c_{i \uparrow}^{\dagger} c_{j\uparrow}^{\phantom{\dagger}} c_{i \downarrow}^{\dagger}c_{j\downarrow}^{\phantom{\dagger}}\).Exchange gives the exchange interaction expressed by \(S_i^+ S_j^-\).Ising gives the Ising interaction expressed by \(S_i^z S_j^z\).PairLift gives the pair-lift interaction expressed by \(c_{i\uparrow}^{\dagger} c_{i\downarrow}^{\phantom{\dagger}} c_{j\uparrow}^{\dagger} c_{j \downarrow}^{\phantom{\dagger}}\).Green’s functions
Initial specifies the one-body Green’s function for the initial configuration, \(\langle c^{\dagger}_{i\sigma_1} c_{j\sigma_2}^{\phantom{\dagger}} \rangle\).OneBodyG specifies the indices of the one-body Green’s function \(\langle c^{\dagger}_{i\sigma_1} c_{j\sigma_2}^{\phantom{\dagger}} \rangle\) to be exported.
The details of the file format for each input file is described in the following subsections.
