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We recast the case for quantum advantage in hadronic physics as an observable-by-observable question rather than a blanket claim about Quantum Chromo-Dynamics (QCD). Focusing on hadronic tomography, we analyze why Compton form factors…
Density functional theory (DFT) is an essential building block for modern theoretical physics, chemistry, and engineering, especially those concerning electronic properties. Through decades of development, various program packages for…
The most widely used approach for simulating the dynamics of time-dependent Hamiltonians via quantum computation depends on the quantum-classical hybrid variational quantum time evolution algorithm, in which ordinary differential equations…
Spherical density functional theory (DFT) is a reformulation of the classic theorems of DFT, in which the role of the total density of a many-electron system is replaced by a set of sphericalized densities, constructed by…
Direct simulation of the von Neumann dynamics for a general (pure or mixed) quantum state can often be expensive. One prominent example is the real-time time-dependent density functional theory (rt-TDDFT), a widely used framework for the…
Mean-field treatment (MFT) is frequently applied to approximately predict the dynamics of quantum optics systems, to simplify the system Hamiltonian through neglecting certain modes that are driven strongly or couple weakly with other…
A family of quantum Hamiltonians is said to be universal if any other finite-dimensional Hamiltonian can be approximately encoded within the low-energy space of a Hamiltonian from that family. If the encoding is efficient, universal…
X-ray Thomson scattering (XRTS) constitutes an essential technique for diagnosing material properties under extreme conditions, such as high pressures and intense laser heating. Time-dependent density functional theory (TDDFT) is one of the…
Experimental implementations of quantum computer architectures are now being investigated in many different physical settings. The full set of requirements that must be met to make quantum computing a reality in the laboratory [1] is…
Orbital-free density functional theory (OFDFT) is a quantum chemistry formulation that has a lower cost scaling than the prevailing Kohn-Sham DFT, which is increasingly desired for contemporary molecular research. However, its accuracy is…
The projection of time-dependent variational principle (TDVP) for matrix product states enables us to perform long-time simulations of one-dimensional quantum systems with the conservation of the total energy and the norm of wave functions.…
The quantum Fourier transform (QFT) is a fundamental primitive in quantum computation and quantum information. In this work, we generalize the QFT for finite groups to a QFT for finite-dimensional semisimple algebras, and give efficient…
Density Functional Theory calculations traditionally suffer from an inherent cubic scaling with respect to the size of the system, making big calculations extremely expensive. This cubic scaling can be avoided by the use of so-called linear…
We show that quantum theory (QT) is a substructure of classical probabilistic physics. The central quantity of the classical theory is Hamilton's function, which determines canonical equations, a corresponding flow, and a Liouville equation…
We present a Hamiltonian quantum computation scheme universal for quantum computation (BQP). Our Hamiltonian is a sum of a polynomial number (in the number of gates L in the quantum circuit) of time-independent, constant-norm, 2-local…
Two-component linear-response time-dependent density functional theory (TDDFT) provides a unified framework that encompasses noncollinear excitations in noncollinear reference states, as well as both spin-conserving and spin-flip…
We discuss two problems which are particularly challenging for approximations in time-dependent density functional theory (TDDFT) to capture: momentum-distributions in ionization processes, and memory-dependence in real-time dynamics. We…
We show that an n-th root of the Walsh-Hadamard transform (obtained from the Hadamard gate and a cyclic permutation of the qubits), together with two diagonal matrices, namely a local qubit-flip (for a fixed but arbitrary qubit) and a…
The developments of quantum computing algorithms and experiments for atomic scale simulations have largely focused on quantum chemistry for molecules, while their application in condensed matter systems is scarcely explored. Here we present…
Spin-density-functional theory (SDFT) is the most widely implemented and applied formulation of density-functional theory. However, it is still finding novel applications, and occasionally encounters unexpected problems. In this paper we…