Accurate dynamical structure factors fromab initiolattice dynamics: The case of crystalline silicon

2012 ◽  
Vol 34 (5) ◽  
pp. 346-354 ◽  
Author(s):  
Alessandro Erba ◽  
Matteo Ferrabone ◽  
Roberto Orlando ◽  
Roberto Dovesi
Keyword(s):  
Crystalline Silicon ◽  
Dynamical Structure ◽  
Structure Factors

scholarly journals Model Pseudopotentials and Dynamical Properties of Simple Metals

1975 ◽  
Vol 28 (4) ◽  
pp. 403 ◽  
Author(s):  
SK Srivastava
Keyword(s):  
Constant Volume ◽  
Dynamical Model ◽  
Thermal Resistivity ◽  
Dynamical Structure ◽  
Structure Factors ◽  
Dynamical Properties ◽  
Experimental Values

The pseudopotential investigation of the dynamical properties of simple metals is discussed, and various model pseudopotentials are used to determine the thermal resistivity as a function of temperature at constant volume for the b.c.c. metals Li, Na, K, Rb, and Cs and the f.c.c. metals Cu, Ag, and Au. Krebs's (1965) lattice dynamical model is used to supply dynamical structure factors. The resulting theoretical thermal esistivities are compared with available experimental values.

Dynamical structure factors in binary liquids. II. Liquid Na-K alloy

1977 ◽  
Vol 10 (21) ◽  
pp. 4191-4196
Author(s):  
K N Swamy ◽  
P K Kahol ◽  
D K Chaturvedi ◽  
K N Pathak
Keyword(s):  
Dynamical Structure ◽  
Binary Liquids ◽  
Structure Factors

Dynamical Structure Factors ofα-AgI Based upon Hubbard-Beeby Theory

1992 ◽  
Vol 61 (4) ◽  
pp. 1211-1217 ◽  
Author(s):  
Tomozo Tomoyose ◽  
Michisuke Kobayashi
Keyword(s):  
Dynamical Structure ◽  
Structure Factors

scholarly journals Dynamical structure factors of dynamical quantum simulators

2020 ◽  
Vol 117 (42) ◽  
pp. 26123-26134 ◽  
Author(s):  
Maria Laura Baez ◽  
Marcel Goihl ◽  
Jonas Haferkamp ◽  
Juani Bermejo-Vega ◽  
Marek Gluza ◽  
...  
Keyword(s):  
Structure Factor ◽  
Cold Atoms ◽  
Correct Result ◽  
Dynamical Structure ◽  
Dynamical Structure Factor ◽  
Quantum Simulators ◽  
Structure Factors ◽  
Near Term ◽  
Tracking Time ◽  
Quantum Polynomial

The dynamical structure factor is one of the experimental quantities crucial in scrutinizing the validity of the microscopic description of strongly correlated systems. However, despite its long-standing importance, it is exceedingly difficult in generic cases to numerically calculate it, ensuring that the necessary approximations involved yield a correct result. Acknowledging this practical difficulty, we discuss in what way results on the hardness of classically tracking time evolution under local Hamiltonians are precisely inherited by dynamical structure factors and, hence, offer in the same way the potential computational capabilities that dynamical quantum simulators do: We argue that practically accessible variants of the dynamical structure factors are bounded-error quantum polynomial time (BQP)-hard for general local Hamiltonians. Complementing these conceptual insights, we improve upon a novel, readily available measurement setup allowing for the determination of the dynamical structure factor in different architectures, including arrays of ultra-cold atoms, trapped ions, Rydberg atoms, and superconducting qubits. Our results suggest that quantum simulations employing near-term noisy intermediate-scale quantum devices should allow for the observation of features of dynamical structure factors of correlated quantum matter in the presence of experimental imperfections, for larger system sizes than what is achievable by classical simulation.

Spin and orbital contributions to the dynamical structure factors of paramagnetic transition metals

1988 ◽  
Vol 37 (14) ◽  
pp. 8154-8166 ◽  
Author(s):  
K. N. Trohidou ◽  
J. A. Blackman ◽  
J. F. Cooke
Keyword(s):  
Transition Metals ◽  
Dynamical Structure ◽  
Structure Factors
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