Polarization CI wavefunctions: the valence states of the NH radical
The polarization configuration interaction (POL–CI) wavefunction is described. Calculations are reported for the X 3Σ−, a 1Δ, b 1Σ+, A 3Π, and c 1Π states of the NH molecules in...
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Efficient Kernel Machines Using the Improved Fast Gauss Transform
The computation and memory required for kernel machines with N training samples is at least O(N 2). Such a complexity is significant even for moderate size problems and is prohi...
<i>A</i> <i>b</i> <i>i</i> <i>n</i> <i>i</i> <i>t</i> <i>i</i> <i>o</i> studies of the electronic structrue of UF6, UF6+, and UF−6 using relativistic effective core potentials
A b initio calculations are performed on the electronic states of UF6, UF6+, and UF−6 using a relativistic effective core potential (ECP) for uranium and a nonrelativistic ECP f...
Impact of Age on the Importance of Systolic and Diastolic Blood Pressures for Stroke Risk
This study investigates age-related shifts in the relative importance of systolic (SBP) and diastolic (DBP) blood pressures as predictors of stroke and whether these relations a...
Barrier to Internal Rotation in Ethane
A series of SCF LCAO MO computations for the ethane molecule are reported for both the staggered and eclipsed form. The obtained wavefunctions are better than those previously r...
How well does the Hartree–Fock model predict equilibrium geometries of transition metal complexes? Large-scale LCAO–SCF studies on ferrocene and decamethylferrocene
Large scale ab initio LCAO–SCF calculations performed on ferrocene show that the Hartree–Fock model is unable to account for the experimentally observed metal to ring distance. ...
All-Solid-State, Semiconductor-Sensitized Nanoporous Solar Cells
Despite the rapid increase in solar cell manufacturing capacity (~50 GW(p) in 2011), maintaining this continued expansion will require resolving some major fabrication issues. C...
GAME: detecting <i>cis</i>-regulatory elements using a genetic algorithm
Abstract Motivation: Identification of a transcription factor binding sites is an important aspect of the analysis of genetic regulation. Many programs have been developed for t...
Jensen’s inequality
t A set is convex if for every pair P, Q of points of the set the line segment PQ is contained in the set.* We call <f> convex on K if 0(J(zi+z 2 ) ) Si(<f>(zi) +<Kz 2 ) ) for a...
<i>Ab initio</i> modeling of boron clustering in silicon
We present results of ab initio calculations for the structure and energetics of boron-interstitial clusters in Si and a respective continuum model for the nucleation, growth, a...
Should myeloid and lymphoid neoplasms with <i><scp>PCM</scp>1‐<scp>JAK</scp>2</i> and other rearrangements of <i><scp>JAK</scp>2</i> be recognized as specific entities?
Summary Since the publication of the 2001 and 2008 World Health Organization classifications of tumours of haematopoietic and lymphoid tissues, there has been an increasing move...