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Experiments in coherent nuclear and electron magnetic resonance,and quantum computing in general correspond to control of quantum mechanical systems, guiding them from initial to final target states by unitary transformations. The control…
Selected configuration interaction (sCI) methods including second-order perturbative corrections provide near full CI (FCI) quality energies with only a small fraction of the determinants of the FCI space. Here, we introduce both a…
We introduce single and double particle-hole excitations in the recently revived spin-projected Hartree-Fock. Our motivation is to treat static correlation with spin-projection and recover the residual correlation, mostly dynamic in nature,…
We develop a class of C1-continuous time integration methods that are applicable to conservative problems in elastodynamics. These methods are based on Hamilton's law of varying action. From the action of the continuous system we derive a…
The spectrum of excited states observed in the finite volume of lattice QCD is governed by the discrete symmetries of the cubic group. This finite group permits the mixing of orbital angular momentum quanta in the finite volume. As…
The phase space of a Hamiltonian system is symplectic. However, the post-Newtonian Hamiltonian formulation of spinning compact binaries in existing publications does not have this property, when position, momentum and spin variables $[X, P,…
We construct an infinite component relativistic wave equation which is a linear first order differential equation identical in form to a Dirac like equation, describing composite fields possessing multiple spin and energy states. The main…
Entanglement or modular Hamiltonians play a crucial role in the investigation of correlations in quantum field theories. In particular, in 1+1 space-time dimensions, the spectra of entanglement Hamiltonians of conformal field theories…
In this work, a unified Lie-algebraic formulation of catability is constructed for relativistic quantum systems with arbitrary spin within this framework. In this case, the analysis starts with constructing catability as a quantitative…
We present a formulation of relativistic self-consistent $GW$ for solids based on the exact two-component formalism with one-electron approximation (X2C1e) and non-relativistic Coulomb interactions. Our theory allows us to study scalar…
Hamiltonian systems are differential equations which describe systems in classical mechanics, plasma physics, and sampling problems. They exhibit many structural properties, such as a lack of attractors and the presence of conservation…
We present a systematic technique for constructing the Lorentz-covariant structures of hadronic matrix elements of local operators. The spinor Young tableaux of the Lorentz group is employed to construct all possible structures for the…
Neutral uranium (U I) is a very difficult atom for theoretical calculations due to a large number of valence electrons, six, strong valence-valence and valence-core correlations, high density of states, and relativistic effects.…
Quantum simulation is a promising near term application for mesoscale quantum information processors, with the potential to solve computationally intractable problems at the scale of just a few dozen interacting quantum systems. Recent…
In this work, we extend selected configuration interaction (SCI) methods beyond energies and expectation values by introducing a linear response (LR) framework for molecular response properties. Existing SCI approaches are capable of…
This paper examines the features of a generalized position-dependent mass Hamiltonian in a supersymmetric framework in which the constraints of pseudo-Hermiticity and CPT are naturally embedded. Different representations of the charge…
Hamiltonian parameter estimation is crucial in condensed matter physics, but time and cost consuming in terms of resources used. With advances in observation techniques, high-resolution images with more detailed information are obtained,…
We present a simple relativistic exact 2-component (X2C) Hamiltonian that models two-electron picture-change effects using Lehtola's superposition of atomic potentials (SAP) [S. Lehtola, J. Chem. Theory Comput. 15, 1593-1604 (2019)]. The…
In conformal field theory (CFT) on simply connected domains of the Riemann sphere, the natural conformal symmetries under self-maps are extended, in a certain way, to local symmetries under general conformal maps, and this is at the basis…
We propose a framework for simulating the real-time dynamics of quantum field theories (QFTs) using continuous-variable quantum computing (CVQC). Focusing on ($1+1$)-dimensional $\varphi^4$ scalar field theory, the approach employs the…