Abstract We shall study the formation of a particular class regular black holes (BHs) from gravitational collapse massive star. The inside geometry is described by spatially flat Friedmann–Robertson–Walker (FRW) metric and stellar matter distributed uniformly without any pre-assumption about its equation state. Our model generalization Oppenheimer–Snyder for BHs. have obtained density pressure ...

The accuracy of non-Born-Oppenheimer (electronically nonadiabatic) semiclassical trajectory methods for simulations of "deep quantum" systems is reevaluated in light of recent quantum mechanical calculations of the photodissociation of the Na...FH van der Waals complex. In contrast to the conclusion arrived at in an earlier study, semiclassical trajectory methods are shown to be qualitatively a...

The recent progress of linear-scaling or O(N) methods in density functional theory (DFT) is remarkable. Given this, we might expect that first-principles molecular dynamics (FPMD) simulations based on DFT could treat more realistic and complex systems using the O(N) technique. However, very few examples of O(N) FPMD simulations exist to date, and information on the accuracy and reliability of t...

Electronic structure calculations using the local density functional method with non-local norm-conserving pseudopotentials, ab initio molecular dynamics simulations, and a novel method of all-quantum simulations, combining a quantum path-integral description of the nuclear degrees of freedom with concurrent electronic structure calculations of the Born-Oppenheimer potential energy surface, wer...

In earlier work we constructed a class of spherically symmetric, ̄uid dynamical shock waves that satisfy the Einstein equations of general relativity. These shock waves extend the celebrated Oppenheimer-Snyder result to the case of non-zero pressure. Our shock waves are determined by a system of ordinary di€erential equations that describe the matching of a FriedmannRobertson-Walker metric (a c...

The spectrum of D3+ is analyzed using a spectroscopically determined effective H3+ potential [B. M. Dinelli, S. Miller, and J. Tennyson, J. Mol. Spectrosc. 1BS, 71 (1994)] and an accurate ab initio potential [G. C. Lie and D. Frye, J. Chem. Phys. 9B, 6784 (1992)]. Calculations suggest that the major error in the potential of Lie and Frye is due to the Born-Oppenheimer approximation. D3+ spectro...

The development of theories and methods devoted to the accurate calculation of the electronic quasi-particle states and levels of molecules, clusters and solids is of prime importance to interpret the experimental data. These quantum systems are often modelled by using the Born-Oppenheimer approximation where the coupling between the electrons and vibrational modes is not fully taken into accou...

Normalized vacuum states in N = 4 supersymmetric Yang–Mills quantum mechanics with any gauge group. Abstract We study the question of existence and the number of normalized vacuum states in N = 4 super–Yang–Mills quantum mechanics for any gauge group. The mass deformation method is the simplest and clearest one. It allowed us to calculate the number of normalized vacuum states for all gauge gro...

We discuss the basic process of photoinduced isomerization as a building block for the design of complex, multifunctional molecular devices. The excited-state dynamics associated with isomerization is detailed through application of the ab initio multiple spawning (AIMS) method, which solves the electronic and nuclear Schrödinger equations simultaneously. This first-principles molecular dynamic...

We report calculations of the spin–orbit energy as a function of internuclear distance R within the b )u state of K2 , and between the b )0u and A (u 1 states, together with new spectroscopic data on the b state and previously unpublished data on the A state. Both the new data and previous data are fitted to Hamiltonian parameters using the discrete variable representation ~DVR! method. The DVR...