disagreement between the vibrational levels of it and those of the Bowman potential and for remaining uncertainties in the assignment of the observed levels. We have suggested in the above analysis a corrected well depth of >1075 cm'1 11for the Bowman potential. This is to be compared with the ab initio well depth of -1109 cm'1. There is clearly reasonable agreement among these two values and the 1062-cm"1 well depth of the Bowman potential. There is, however, a large discrepancy between the zero-point levels of the two surfaces that arises primarily from what appears to be an overly large contribution (~440 cm"1) from the bending vibration on the ab initio surface. This leads not only to a systematic shift in the computed vdW stretching levels compared to experiment, but to the prediction of fewer excited bending states.The fact that experimental estimates of the dissociation energy, which range from 718 to 742 cm"1, are so closely in accord with the present calculation (724 cm"1) and estimation (~739 cm"1) on the Bowman surface strongly suggests that the bending po-tential is better described by that surface. This inference is independent of the manner in which the non-vdW stretching levels are assigned. The well depth of the ab initio surface would have to be in error by enough to allow a 126-cm'1 increase in the dissociation energy. While Chakravarty and Clary10 are inclined to accept a 15% error in the ab initio well depth, one must expect such an error also to affect the bending potential.

IBM POWER5e systems combine enhancements in the IBM PowerPCe processor architecture with greatly enhanced firmware to significantly increase the virtualization capabilities of IBM POWERe servers. The POWER hypervisor, the basis of the IBM Virtualization Enginee technologies on POWER5 systems, delivers leading-edge mainframe virtualization technologies to the UNIXt marketplace. In addition to being able to create computingintensive partitions with dedicated resources (processors, memory, and I/O adapters), customers can harness idle processor capacity to configure micropartitions with virtualized resources in order to consolidate many AIXe, i5/OSe, and Linuxt servers onto a single platform. The POWER hypervisor provides support for virtualized processors, an IEEE virtual local area network (VLAN)compatible virtual Ethernet switch, virtual small computer system interface (VSCSI) adapters, and virtual consoles. Many of these features are dependent upon, or take advantage of, the new facilities provided in the POWER5 processor, including the hypervisor decrementer, a fast page mover, and simultaneous multithreading support. The technology behind the virtualization capabilities that are available on the POWER5 servers, enabling customers to better utilize the industry-leading computing capacity of the POWER5 processor, is discussed in this paper.

We report computational applications of the newly developed distributed approximating function (DAF) approach to real time quantal wavepacket propagation for several one-dimensional model problems. The DAF is constructed to fit all wavepackets accurately which can be represented, to the same accuracy, by a polynomial of degree M, or less, within the envelope of the DAF. (This defines the "DAF class" of functions.) By expressing the DAF (and thus the wavepacket to be propagated) in terms of Hermite functions (Each a product of a Hermite polynomial and its Gaussian generating function), the DAF approximation to the wavepacket is propagated freely and exactly for a short time 7 . The Hermite functions are the natural basis states for describing the free evolution of a localized particle and yield a highly banded representation for the free particle propagator. Combining the DAF class free propagation scheme with any of several short time approximations to the full propagator enables one to propagate the wavepacket through a potential. The DAF results for the propagated wavepacket and various scattering amplitudes are shown to be in good agreement with those obtained by more standard methods.

The IBM POWER8i processor includes many innovative features that enable efficient and flexible computing, along with enhancements in virtualization, security, and serviceability. These features benefit application performance, and big data and analytics computing, as well as the cloud environment. Notable features include the capabilities to dynamically and efficiently change the number of threads active on a processor, enhancing application performance via integer vector operations, encryption accelerations, and reference history arrays. Also notable is improved virtual machine density (supporting multiple simultaneous partitions per core and providing fine-grain power management), allowing continuous monitoring of system performance as well as significantly enhanced system RAS (reliability, availability, and serviceability) and security. Each of these features is technologically complex and advanced. This paper provides an in-depth description of some of these features and their exploitation through systems software and middleware. These features will continue to bring value to the system-of-record workloads in the enterprise. They also make POWER8 systems well-suited for serving the needs of newer workloads such as big data and analytics, while efficiently supporting deployment in cloud environments.

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