Related papers: Crossing conditions in coupled cluster theory
Suppose $V$ is a singular complex analytic curve inside $\mathbb{C}^{2}$. We investigate when a singular or non-singular complex analytic curve $W$ inside $\mathbb{C}^{2}$ with sufficiently small Hausdorff distance $d_{H}(V, W)$ from $V$…
Despite their high accuracy, standard coupled cluster models cannot be used for nonadiabatic molecular dynamics simulations because they yield unphysical complex excitation energies at conical intersections between same-symmetry excited…
We investigate the coupled dynamics of symmetry breaking and phase separation during quenches across the critical point in a first-order phase transition. Based on the Einstein-Maxwell-scalar theory, we construct a holographic superfluid…
In Coupled-Cluster (CC) theory, unphysical complex energies may arise in the presence of strong magnetic fields, near conical intersections, or in systems exhibiting complex Abelian point group symmetries. This issue originates from the…
We study the thermodynamic phase transition of a spin Hamiltonian comprising two 3D magnetic sublattices. Each sublattice contains XY spins coupled by the usual bilinear exchange, while spins in different sublattices only interact via…
We have constructed a general theory describing the topological quantum phase transitions in 3D systems with broken inversion symmetry. While the consideration of the system's codimension generally predicts the appearance of a stable…
We observed a phase transition-like behavior that is marked by the onset of the realization of the connectivity between two sites on a two-dimensional cross-section of a three-dimensional percolation cluster. This was found using…
Remarkably rich physics is involved in the behavior of hybrid Josephson junctions, connecting high-Tc and low-Tc superconductors. This relates in particular to the different order parameter symmetries underlying the formation of the…
Coupled cluster theory is one of the most accurate electronic structure methods for predicting ground and excited state chemistry. However, the presence of numerical artifacts at electronic degeneracies, such as complex energies, has made…
Superconducting hybrid junctions are revealing a variety of novel effects. Some of them are due to the special layout of these devices, which often use a coplanar configuration with relatively large barrier channels and the possibility of…
The non-crossing rule for the energy levels of a parameter-dependent Hamiltonian is revisited and a flaw in a commonly accepted proof is revealed. Some aspects of avoided crossings are illustrated by means of simple models. One of them…
Computationally efficient and accurate quantum mechanical approximations to solve the many-electron Schr\"odinger equation are at the heart of computational materials science. In that respect the coupled cluster hierarchy of methods plays a…
For the general Two-Higgs-Doublet model, we present conditions for having spontaneous CP violation, in terms of physical masses and couplings. These relations involve the charged-Higgs mass, its cubic couplings with neutral scalars and…
Topological phase transition is accompanied with a change of topological numbers. It has been believed that the gap closing and the breakdown of the adiabaticity at the transition point is necessary in general. However, the gap closing is…
Coupled cluster and symmetry projected Hartree-Fock are two central paradigms in electronic structure theory. However, they are very different. Single reference coupled cluster is highly successful for treating weakly correlated systems,…
Homoclinic classes of generic $C^1$-diffeomorphisms are maximal transitive sets and pairwise disjoint. We here present a model explaining how two different homoclinic classes may intersect, failing to be disjoint. For that we construct a…
The exact numerical diagonalization and thermodynamics in an ensemble of small Hubbard clusters in the ground state and finite temperatures reveal intriguing insights into the nascent charge and spin pairings, Bose condensation and…
We show that a special type of entangled states, cluster states, can be created with Heisenberg interactions and local rotations in 2d steps where d is the dimension of the lattice. We find that, by tuning the coupling strengths,…
The electronic properties of two-dimensional transition metal dichalcogenides (2D TMDs) have attracted much attention during the last decade. We show how a diagrammatic ab initio coupled cluster singles and doubles (CCSD) treatment paired…
We study superconducting quantum interference in a Josephson junction linked via edge states in two-dimensional (2D) insulators. We consider two scenarios in which the 2D insulator is either a topological or a trivial insulator supporting…