Related papers: A Physically Based Analytical Model to Predict Qua…
A numerical model is built, simulating the principles of kinetic gas theory, to predict pressures of molecules in a spherical pressure vessel; the model tracks a single particle and multiplies the force on the spherical walls by a mole of…
The Fourier component of the potential energy of interaction of an atom with an atom is represented as a polynomial of the fourth degree from the atomic form factor. A numerical calculation was performed for the atomic form factor in the…
Wave function collapse models are considered as the modified theories of standard quantum mechanics at the macroscopic level. By introducing nonlinear stochastic terms in the Schr\"odinger equation, these models make predictions,…
We study theoretically the performance of electrically pumped self-organized quantum dots as a gain material in the mid-IR range at room temperature. We analyze an AlGaAs/InGaAs based structure composed of dots-in-a-well sandwiched between…
Computational modeling is an integral part of catalysis research. With it, new methodologies are being developed and implemented to improve the accuracy of simulations while reducing the computational cost. In particular, specific…
We introduce the quantum theoretical formulation to determine a posteriori, if existing, the quantum wave functions and to estimate the quantum interference effects of mental states. Such quantum features are actually found in the case of…
The quantum molecule consisting of three quantum dots that forms a triangle with its centers is studied. The electron wave function in the nanosystem is written using the linear combination of orbital quantum wells. The dispersion equation…
Anharmonic potential quantum system play crucial role in physics as they provide a more realistic description of oscillatory phenomena, which often deviate from the idealized harmonic model. However, simulating such system on classical…
Flexible piezoelectric devices made of polymeric materials are widely used for micro- and nano-electro-mechanical systems. In particular, numerous recent applications concern energy harvesting. Due to the importance of computational…
The wave function in quantum mechanics presents an interesting challenge to our understanding of the physical world. In this paper, I show that the wave function can be understood as four intrinsic relations on physical space. My account…
We present an efficient and robust semi-analytical formulation to compute the electric potential due to arbitrary-located point electrodes in three-dimensional cylindrically stratified media, where the radial thickness and the medium…
The article summarizes the study performed in the context of the Deloitte Quantum Climate Challenge in 2023. We present a hybrid quantum-classical method for calculating Potential Energy Surface scans, which are essential for designing…
Energy nonconservation is a serious problem of dynamical collapse theories. In this paper, we propose a discrete model of energy-conserved wavefunction collapse. It is shown that the model is consistent with existing experiments and our…
We calculate the effect of a spatially dependent effective mass (SPDEM) [adapted from R. N. Costa Filho et al. Phys. Rev. A., \textbf{84} 050102 (2011)] on an electron and hole confined in a quantum well (QW). In the work of Costa Filho et…
Quantum embedding theories are promising approaches to investigate strongly-correlated electronic states of active regions of large-scale molecular or condensed systems. Notable examples are spin defects in semiconductors and insulators. We…
Traditional plasma physics has mainly focused on regimes characterized by high temperatures and low densities, for which quantum-mechanical effects have virtually no impact. However, recent technological advances (particularly on…
In order for methods combining ab initio density-functional theory and many-body techniques to become routinely used, a flexible, fast, and easy-to-use implementation is crucial. We present an implementation of a general charge…
We describe the following new features which significantly enhance the power of the recently developed real-space imaginary-time GW scheme (Rieger et al., Comp. Phys. Commun. 117, 211 (1999)) for the calculation of self-energies and related…
Several methodologies are developed for large-scale atomistic simulations with fully quantum mechanical description of electron systems. The important methodological concepts are (i) generalized Wannier state, (ii) Krylov subspace and (iii)…
The quantum mechanical tunneling through multiple quantum barriers is a long-standing and well-known problem. Three methods proposed earlier to calculate the tunneling probabilities and energy splitting: (1). Instanton Method (2) WKb…