Demonstrating that the non orthogonal orbital optimized coupled cluster model converges to full configuration interaction

Coupled cluster (CC) methods are among the most accurate methods in quantum chemistry. However, the standard CC linear response formulation is not gauge invariant resulting in errors when modelling properties like optical rotation and electron circular dichroism. Including an explicit unitary orbital rotation in the CC Lagrangian makes the linear response function gauge invariant, but the resulting models are not equivalent to full configuration interaction (FCI) in the untruncated limit. In this contribution, such methods are briefly discussed and it is demonstrated that methods using a nonorthogonal orbital transformation, such as nonorthogonal orbital optimized CC (NOCC), can converge to FCI in the untruncated limit. This has been disputed in the literature.Comment: 18 page

Advanced 30/20 GHz multiple-beam antennas for communications satellites

Design concepts under development utilize two separate spacecraft antenna systems, one uplink at 30 GHz and the other a downlink at 20 GHz, where each antenna provides multiple fixed and scanning beams. Two contractors completed configuration trade-off studies and breadboarding of critical technology components, and are fabricating and testing proof-of-concept (POC) models to demonstrate the technology feasibility. Technology developments required for the proposed systems are presented, along with each contractor's progress to date. The technology development areas discussed include: (1) offset Cassegrain and shaped reflector systems for narrow beams with low sidelobes and wideangle off-axis scan; (2) diplexed beam-forming networks for dual polarization, low sidelobes, and fixed and scan-beam operation; (3) fast switching networks for scanning beams; and (4) fabrication of precision feed components and large offset reflectors

A Cultural Criminology of ‘New’ Jihad: Insights from Propaganda Magazines

The backgrounds and modus operandi of more recent jihadi terrorists tend to share factors and characteristics more typically associated with non-political violence such as mass- killings and gang violence. Their attacks, moreover, seem to have been precipitated not by the direct instructions of a formal hierarchy but by the encouragement of propaganda produced and disseminated by networked, media-savvy terrorist groups. It is necessary to explain how these ‘recruitment’ efforts work. Cultural criminology with its understanding of the relationship between mediated meaning and individual experience, can provide such an analysis. The paper presents a qualitative document analysis of 32 propaganda magazines produced by the Islamic State and Al-Qaeda. It demonstrates that they contain significantly more than religious rhetoric and military strategy. Rather, they are part of a process that crystalizes a jihadi subculture that appeals to disaffected and/or marginalized, excitement- seeking youths. The magazines cultivate violence by constructing a militarized style that celebrates outlaw status, where violence is eroticized and aestheticized. They idealize the notion of a jihadi terrorist that is tough and willing to commit brutal violence. The lifestyle portrayed offers the possibility of heroism, excitement, belonging and imminent fame, themes often espoused by conventional, Western consumer culture. The magazines occasionally draw on street jargon, urban music, fashion, films and video games. The subcultural model of jihadi propaganda we explicate provides a novel way of understanding terrorist recruiting tactics and motivations that are not necessarily in opposition to contemporary conventional criminal and ‘mainstream’ cultures, but in resonance with them

Dilley, John (1861 - )

This biographical summary was created by the Works Progress Administration (WPA) between 1936 and 1939

Crossing conditions in coupled cluster theory

We derive the crossing conditions at conical intersections between electronic states in coupled cluster theory, and show that if the coupled cluster Jacobian matrix is nondefective, two (three) independent conditions are correctly placed on the nuclear degrees of freedom for an inherently real (complex) Hamiltonian. Calculations using coupled cluster theory on an $2 {^{1}}A' / 3 {^{1}}A'$ conical intersection in hypofluorous acid illustrate the nonphysical artifacts associated with defects at accidental same-symmetry intersections. In particular, the observed intersection seam is folded about a space of the correct dimensionality, indicating that minor modifications to the theory are required for it to provide a correct description of conical intersections in general. We find that an accidental symmetry allowed $1 {^{1}}A" / 2 {^{1}}A"$ intersection in hydrogen sulfide is properly described, showing no artifacts as well as linearity of the energy gap to first order in the branching plane.Comment: 9 pages and 4 figure

Bachelor thesis in Television and Multimedia Production Do Tragic Endings work in Short Films?

Looking at character development, dramaturgy and endings in Frank Darabont’s work with ‘’The Mist (2007)’’ and ‘’The Woman in the Room’’ (1983)

Post-Stroke Apathy: Screening and Functional Impact

Background: Apathy, a disorder of motivation observed in up to 40% of stroke survivors, is likely to have a negative impact on stroke rehabilitation. It is often theorised to be a multidimensional construct yet frequently assessed using unidimensional measures. The Dimensional Apathy Scale (DAS, Radakovic & Abrahams, 2014)is a multidimensional assessment, with Executive, Emotional and Initiation Apathy subscales. The aims of this thesis were to examine the relationship between apathy and functional activity after stroke and assess the suitability of the DAS as a screen for post-stroke apathy (PSAp). Method: A systematic review identified 8 papers investigating the associations between PSAp and functional activity. An online survey of 53 stroke, and 71 non-stroke participants investigated the psychometric properties and validity of the DAS in relation to a frequently used, unidimensional apathy measure and measures of depression and anxiety. Results: The systematic review found that PSAp is associated with negative outcomes, including negatively affecting family life and later social reintegration and autonomy. The review highlights a negative relationship between PSAp and functional activity, although there were concerns regarding the quality of studies and the lack of multidimensional apathy assessment being utilised. The survey found that the DAS has good internal consistency, good convergent and divergent validity in stroke. Stroke survivors scored significantly higher on total apathy and all subscales than did non-stroke participants. Initiation and Executive Apathy were particularly prevalent, similar to previous DAS validation studies in neurogenerative diseases. Stroke survivors also had significantly higher levels of depression, but not anxiety, compared with non-stroke participants. Conclusion: PSAp is common but under-researched. This thesis contributes to PSAp research, finding that PSAp is associated with functional disability and validating the DAS for use in stroke rehabilitation and research. Limitations and suggestions for future research are discussed