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In this work we describe the Correlative Method of Unsymmetrized Self-Consistent Field (CUSF). This method is based on a set of nonlinear integrodifferential equations for the one-particle configurational distribution functions and for the self-consistent potentials of the atoms. Here we present the fundamental concepts of the CUSF, the hypotheses of the method, the basic equations, the self-consistent potential, the thermodynamics of the anharmonic crystalline solids, and the quantum corrections in the quasi-classical approximation. Keywords: lattice theory and statistics; anharmonic crystals; thermodynamics.
Fragmentation methods applied to multireference wave functions constitute a road towards the application of highly accurate ab initio wave function calculations to large molecules and solids. However, it is important for reproducibility and transfera
We use a new configuration-based version of linear response theory to efficiently solve self-consistent mean field equations relating an effective single particle potential to the induced density. The versatility and accuracy of the method is illustr
Phonon lifetime calculations from first principles usually rely on time consuming molecular dynamics calculations, or density functional perturbation theory (DFPT) where the zero temperature crystal structure is assumed to be dynamically stable. Here
We describe a hierarchy of stochastic boundary conditions (SBCs) that can be used to systematically eliminate finite size effects in Monte Carlo simulations of Ising lattices. For an Ising model on a $100 times 100$ square lattice, we measured the sp
A field theoretical framework is developed for the Hawkes self-excited point process with arbitrary memory kernels by embedding the original non-Markovian one-dimensional dynamics onto a Markovian infinite-dimensional one. The corresponding Langevin