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A Model For Orientation Effects In Electron‐Transfer Reactions, Paul Siders, Robert J. Cave, R.A. Marcus Dec 1984

A Model For Orientation Effects In Electron‐Transfer Reactions, Paul Siders, Robert J. Cave, R.A. Marcus

All HMC Faculty Publications and Research

A method for solving the single‐particle Schrödinger equation with an oblate spheroidal potential of finite depth is presented. The wave functions are then used to calculate the matrix element TBA which appears in theories of nonadiabatic electron transfer. The results illustrate the effects of mutual orientation and separation of the two centers on TBA. Trends in these results are discussed in terms of geometrical and nodal structure effects. Analytical expressions related to TBA for states of spherical wells are presented and used to analyze the nodal structure effects for TBA for the spheroidal wells.


Simulated Performance Of A Reduction-Based Multiprocessing System, Robert M. Keller, Frank C. H. Lin Jul 1984

Simulated Performance Of A Reduction-Based Multiprocessing System, Robert M. Keller, Frank C. H. Lin

All HMC Faculty Publications and Research

Multiprocessing systems have the potential for increasing system speed over what is now offered by device technology. They must provide the means of generating work for the processors, getting the work to processors, and coherently collecting the results from the processors. For most applications, they should also ensure the repeatability of behavior, i.e., determinacy, speed-independence, or elimination of "critical races." Determinacy can be destroyed, for example, by permitting-in separate, concurrent processes statements such as "x: = x + 1" and "if x = 0 then… else…", which share a common variable. Here, there may be a critical race, in that …


Rediflow Multiprocessing, Robert M. Keller, Frank C. H. Lin, Jiro Tanaka Feb 1984

Rediflow Multiprocessing, Robert M. Keller, Frank C. H. Lin, Jiro Tanaka

All HMC Faculty Publications and Research

We discuss the concepts underlying Rediflow, a multiprocessing system being designed to support concurrent programming through a hybrid model of reduction, dataflow, and von Neumann processes. The techniques of automatic load-balancing in Rediflow are described in some detail.


Consistency Testing For Data-Flow Circuits, Chu S. Jhon, Robert M. Keller Jan 1984

Consistency Testing For Data-Flow Circuits, Chu S. Jhon, Robert M. Keller

All HMC Faculty Publications and Research

One means of making VLSI design tractable is to proceed from a high-level specification of a circuit in terms of functionality, to the circuit level. A notable error which may occur in a topdown design starting with a data-flow graph representation of a circuit is a design inconsistency due to deadlock. This paper attempts to further develop the theoretical basis for algorithms which analyze the deadlock property of circuits on the basis of their data-flow graph representations. A systematic scheme to verify the absence of deadlock in data-flow graphs is also presented.


Uniqueness Of Positive Solutions For A Class Of Elliptic Boundary Value Problems, Alfonso Castro, Ratnasingham Shivaji Jan 1984

Uniqueness Of Positive Solutions For A Class Of Elliptic Boundary Value Problems, Alfonso Castro, Ratnasingham Shivaji

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Uniqueness of non-negative solutions conjectured in an earlier paper by Shivaji is proved. Our methods are independent of those of that paper, where the problem was considered only in a ball. Further, our results apply to a wider class of nonlinearities.


On Monotone Formulae With Restricted Depth, Maria M. Klawe, Wolfgang J. Paul, Nicholas J. Pippenger, Mihalis Yannakakis Jan 1984

On Monotone Formulae With Restricted Depth, Maria M. Klawe, Wolfgang J. Paul, Nicholas J. Pippenger, Mihalis Yannakakis

All HMC Faculty Publications and Research

We prove a hierarchy theorem for the representation of monotone Boolean functions by monotone Boolean functions by monotone formulae with restricted depth. Specifically, we show that there are functions with Πk-formulae of size n for which every Σk-formula has size exp Ω(n1/(k-1)). A similar lower bound applies to concrete functions such as transitive closure and clique. We also show that any function with a formula of size n (and any depth) has a Σk-formula of size exp O(n1/(k-1)). Thus our hierarchy theorem is the best possible.


Alkali Oxides. Analysis Of Bonding And Explanation Of The Reversal Of Ordering Of The 2Σ And 2Π States, Janet N. Allison, Robert J. Cave, William A. Goddard Iii Jan 1984

Alkali Oxides. Analysis Of Bonding And Explanation Of The Reversal Of Ordering Of The 2Σ And 2Π States, Janet N. Allison, Robert J. Cave, William A. Goddard Iii

All HMC Faculty Publications and Research

We analyze the bonding in alkali oxides, MO, for M = Li, Na, K, Rb, and Cs. Using ab initio correlated wave functions we find that the ground state is ²II for M = Li, Na, and K and that the ground state is ²Ʃ^+ for M = Rb and Cs. The origin of this effect is explained.