Related papers: Many-body theory for systems with particle convers…
For the Hirshfeld-I atom-in-molecule model, associated single-atom energies and interaction energies at the Hartree-Fock level are determined efficiently in one-electron Hilbert space. In contrast to most other approaches, the energy terms…
The possibility to use perturbation theory to systematically improve calculations on circular quantum dots is investigated. A few different starting points, including Hartree-Fock, are tested and the importance of correla- tion is…
A challenge in modeling time-dependent strong-field processes such as high-harmonic generation for many-body systems, is how to effectively represent the electronic continuum. We apply Rothe's method to the time-dependent Hartree-Fock…
The conformational change of biological macromolecule is investigated from the point of quantum transition. A quantum theory on protein folding is proposed. Compared with other dynamical variables such as mobile electrons, chemical bonds…
Strongly interacting matter such as nuclear or quark matter leads to few-body bound states and correlations of the constituents. As a consequence quantum chromodynamics has a rich phase structure with spontaneous symmetry breaking,…
We extend coupled-cluster theory performed on top of a Slater determinant breaking rotational symmetry to allow for the exact restoration of the angular momentum at any truncation order. The main objective relates to the description of…
We develop a variational approach at finite temperature that incorporates many-body correlation self-consistently. The grand potential is constructed in terms of Green's function expressed by the variational parameters. We apply this…
The many-body localization (MBL) is commonly related to a strong spatial disorder. We show that MBL may alternatively be generated by adding a temporal disorder to periodically driven many-body systems. We reach this conclusion by mapping…
We present a density functional scheme for calculating the pair density (PD) by means of the correlated wave function. This scheme is free from both of problems related to PD functional theory, i.e., (a) the need to constrain the…
In this thesis, I go through the well-known solutions to the one and two-particle systems trapped in a quantum harmonic oscillator and then continue to the three, four and many-body quantum systems. This is done by developing new analytical…
Given a time-independent Hamiltonian $\widetilde H$, one can construct a time-dependent Hamiltonian $H_t$ by means of the gauge transformation $H_t=U_t \widetilde H \, U^\dagger_t-i\, U_t\, \partial_t U_t^\dagger$. Here $U_t$ is the unitary…
Nuclear physics is ideal to test and develop techniques to describe the microscopic dynamics of quantum many-body systems. At low energy, nuclear dynamics is described with non-relativistic approaches based on the mean-field approximation…
We report on the first results for the second-order perturbation theory correction to the ground-state energy of a nuclear many-body system in a continuum quantum Monte Carlo calculation. Second-order (and higher) perturbative corrections…
The familiar unrestricted Hartree-Fock variational principle is generalized to include quasi-free states. As we show, these are in one-to-one correspondence with the one-particle density matrices and these, in turn provide a convenient…
The paper presents an analytical theory quantitatively describing the heterogeneous combustion of nonvolatile (metal) particles in the diffusion-limited regime. It is assumed that the particle is suspended in an unconfined, isobaric,…
Many-body theory is largely based on self-consistent equations that are constructed in terms of the physical quantity of interest itself, for example the density. Therefore, the calculation of important properties such as total energies or…
The method of many-body Green's functions is developed for arbitrary systems of electrons and nuclei starting from the full (beyond Born-Oppenheimer) Hamiltonian of Coulomb interactions and kinetic energies. The theory presented here…
We perform accurate calculations of the dependence of transition frequencies in two valence electron atoms and ions on a variation of the fine structure constant, alpha. The relativistic Hartree-Fock method is used with many-body…
Discrete time crystals are a many-body state of matter where the extensive system's dynamics are slower than the forces acting on it. Nowadays, there is a growing debate regarding the specific properties required to demonstrate such a…
The ab-initio many-body method suggested in the preceding paper is applied to the 3d transition metals Fe, Co, Ni, and Cu. We use a linearized muffin-tin orbital calculation to determine Bloch functions for the Hartree one-particle…