Uses of pair energy techniques in molecular calculations: The ammonia molecule

Pair energy techniques are used for geometry determinations and calculation of the barrier height in ammonia. The results, when compared with configuration interaction results, are very encouraging.The author wishes to express his thanks to Dr. A. Pipano whose CI programs made this study possible and to Dr. R. R. Gilman and Professor I. Shavitt for many helpful and stimulating discussions.     

Nonlinear programming in normed linear spaces

Necessary conditions in the form of multiplier rules are given for a function to have a constrained minimum. First-order differentiability conditions are imposed, and various combinations of set, equality, and inequality constraints are considered in arbitrary normed linear spaces.This paper is based upon part of the author's doctoral dissertation at Ohio University, Athens, Ohio.     

Goldschmidt’s 2-signalizer functor theorem

A solvableA-signalizer functor? assigns to any non-identity elementx of the abelian 2-subgroupA of the finite groupG anA-invariant solvable 2′-subgroupθ(C _G(x)) ofC _G(x) such thatθ(C _G(x)) ∩C _G(y) ??(C _G(y)) for allx, y ∈ A ^#.θ is called complete ifG has a solvableA-invariant 2′-subgroupK=θ(G) such thatC _k(x)=θ(C _G(x)) for everyx ∈ A#. This note contains an alternate proof of the completeness theorem below.     

The asymptotic number of labeled graphs with given degree sequences

Asymptotics are obtained for the number of n × n symmetric non-negative integer matrices subject to the following constraints: (i) each row sum is specified and bounded, (ii) the entries are bounded, and (iii) a specified “sparse” set of entries must be zero. The result can be interpreted in terms of incidence matrices for labeled graphs.