Variational calculation of many-body wave functions and energies from density-functional theory

A generating coordinate is introduced into the exchange-correlation functional of density-functional theory (DFT). The many-body wave function is represented as a superposition of Kohn-Sham (KS) Slater determinants arising from different values of the generating coordinate. This superposition is used to variationally calculate many-body energies and wave functions from solutions of the KS equation of DFT. The method works for ground and excited states, and does not depend on identifying the KS orbitals and energies with physical ones. Numerical application to the Helium isoelectronic series illustrates the method's viability and potential.Comment: 4 pages, 2 tables, J. Chem. Phys., accepte

Optimising Matrix Product State Simulations of Shor's Algorithm

We detail techniques to optimise high-level classical simulations of Shor's quantum factoring algorithm. Chief among these is to examine the entangling properties of the circuit and to effectively map it across the one-dimensional structure of a matrix product state. Compared to previous approaches whose space requirements depend on $r$, the solution to the underlying order-finding problem of Shor's algorithm, our approach depends on its factors. We performed a matrix product state simulation of a 60-qubit instance of Shor's algorithm that would otherwise be infeasible to complete without an optimised entanglement mapping.Comment: 8 pages, 2 figures, 2 tables. v2 using PDFLaTeX compiler. v3 to include extra references. v4 for publication in Quantu

Sensing of Fluctuating Nanoscale Magnetic Fields Using NV Centres in Diamond

New magnetometry techniques based on Nitrogen-Vacancy (NV) defects in diamond allow for the imaging of static (DC) and oscillatory (AC) nanoscopic magnetic systems. However, these techniques require accurate knowledge and control of the sample dynamics, and are thus limited in their ability to image fields arising from rapidly fluctuating (FC) environments. We show here that FC fields place restrictions on the DC field sensitivity of an NV qubit magnetometer, and that by probing the dephasing rate of the qubit in a magnetic FC environment, we are able to measure fluctuation rates and RMS field strengths that would be otherwise inaccessible with the use of DC and AC magnetometry techniques. FC sensitivities are shown to be comparable to those of AC fields, whilst requiring no additional experimental overheads or control over the sample.Comment: 5 pages, 4 figure

Comment on 'Non-equilibrium thermodynamics of light absorption'

A recent paper by Meszéna and Westerhoff (1999 J. Phys. A: Math. Gen. 32 301) has aimed to address what is referred to as a principal question of biological thermodynamics, the possibility of describing photosynthesis in terms of non-equilibrium thermodynamics. The issue is associated with a misrepresentation of the fundamental photophysics involved, and as a result the analysis is invalid

Atmospheric environment for Space Shuttle (STS-6) launch

Selected atmospheric conditions observed near Space Shuttle STS-6 launch time on April 4, 1983, at Kennedy Space Center, Florida are summarized. Values of ambient pressure, temperature, moisture, ground winds, visual observations (cloud), and winds aloft are included. The sequence of prelaunch Jimsphere measured vertical wind profiles is given. Also presented are the wind and thermodynamic parameters measured at the surface and aloft in the SRB descent/impact ocean area. Final meteorological tapes, which consist of wind and thermodynamic parameters versus altitude, for STS-6 veicle ascent and SRB descent were constructed. The STS-6 ascent meteorological data tape was constructed by Marshall Space Flight Center in response to Shuttle task agreement No. 936-53-22-368 with Johnson Space Center

Atmospheric environment for Space Shuttle (STS-4) launch

Selected atmospheric conditions observed near space shuttle STS-4 launch time on June 27, 1982, at Kennedy Space Center, Florida are summarized. Values of ambient pressure, temperature, moisture, ground winds, visual observations (cloud), and winds aloft are included. The sequence of prelaunch Jimsphere measured vertical wind profiles is given as well as the wind and thermodynamic parameters measured at the surface and aloft in the SRB descent/impact ocean area. Final meteorological tapes, which consist of wind descent were constructed. The STS-4 ascent meteorological data tape was constructed by Marshall Space Flight Center in response to shuttle task agreement No. 989-13-22-368 with Johnson Space Center

Atmospheric environment for Space Shuttle (STS-7) launch

Selected atmospheric conditions observed near Space Shuttle STS-7 launch time on June 18, 1983, at Kennedy Space Center, Florida are summarized. Values of ambient pressure, temperature, moisture, ground winds, visual observations (cloud), and winds aloft are included. The sequence of prelaunch Jimsphere measured vertical wind profiles is given in this report. Also presented are wind and thermodynamic parameters representative of surface and aloft conditions in the SRB descent/impact ocean area. Final meteorological tapes, which consist of wind and thermodynamic parameters versus altitude, for STS-7 vehicle ascent and Acoustic/SRB descent have been constructed. The STS-7 ascent meteorological data tape has been constructed by Marshall Space Flight Center in response to Shuttle task agreement No. 936-53-22-368 with Johnson Space Center