Simulating Correlated Multivariate Pseudorandom Numbers

A modification of the Kaiser and Dichman (1962) procedure of generating multivariate random numbers with specified intercorrelation is proposed. The procedure works with positive and non-positive definite population correlation matrix. A SAS module is also provided to run the procedure.

Variable Selection in Multivariable Regression Using SAS/IML

This paper introduces a SAS/IML program to select among the multivariate model candidates based on a few well-known multivariate model selection criteria. Stepwise regression and all-possible-regression are considered. The program is user friendly and requires the user to paste or read the data at the beginning of the module, include the names of the dependent and independent variables (the y's and the x's), and then run the module. The program produces the multivariate candidate models based on the following criteria: Forward Selection, Forward Stepwise Regression, Backward Elimination, Mean Square Error, Coefficient of Multiple Determination, Adjusted Coefficient of Multiple Determination, Akaike's Information Criterion, the Corrected Form of Akaike's Information Criterion, Hannan and Quinn Information Criterion, the Corrected Form of Hannan and Quinn (HQc) Information Criterion, Schwarz's Criterion, and Mallow's PC. The output also constitutes detailed as well as summarized results.

On generalized Sethi-Vafa-Witten formulas

We present a formula for computing proper pushforwards of classes in the Chow ring of a projective bundle under the projection \pi:\Pbb(\Escr)\rightarrow B, for $B$ a non-singular compact complex algebraic variety of any dimension. Our formula readily produces generalizations of formulas derived by Sethi,Vafa, and Witten to compute the Euler characteristic of elliptically fibered Calabi-Yau fourfolds used for F-theory compactifications of string vacua. The utility of such a formula is illustrated through applications, such as the ability to compute the Chern numbers of any non-singular complete intersection in such a projective bundle in terms of the Chern class of a line bundle on $B$

Auxiliary-field quantum Monte Carlo study of first- and second-row post-d elements

A series of calculations for the first- and second-row post-d elements (Ga-Br and In-I) are presented using the phaseless auxiliary-field quantum Monte Carlo (AF QMC) method. This method is formulated in a Hilbert space defined by any chosen one-particle basis, and maps the many-body problem into a linear combination of independent-particle solutions with external auxiliary fields. The phase/sign problem is handled approximately by the phaseless formalism using a trial wave function, which in our calculations was chosen to be the Hartree-Fock solution. We used the consistent correlated basis sets of Peterson and coworkers, which employ a small core relativistic pseudopotential. The AF QMC results are compared with experiment and with those from density-functional (GGA and B3LYP) and coupled-cluster CCSD(T) calculations. The AF QMC total energies agree with CCSD(T) to within a few milli-hartrees across the systems and over several basis sets. The calculated atomic electron affinities, ionization energies, and spectroscopic properties of dimers are, at large basis sets, in excellent agreement with experiment.Comment: 10 pages, 2 figures. To be published in Journal of Chemical Physic

Fixed-node diffusion Monte Carlo study of the structures of m-benzyne

Diffusion Monte Carlo (DMC) calculations are performed on the monocyclic and bicyclic forms of m-benzyne, which are the equilibrium structures at the CCSD(T) and CCSD levels of coupled cluster theory. We employed multi-configuration self-consistent field trial wave functions which are constructed from a carefully selected 8-electrons-in-8-orbitals complete active space [CAS(8,8)], with CSF coefficients that are reoptimized in the presence of a Jastrow factor. The DMC calculations show that the monocyclic structure is lower in energy than the bicyclic structure by 1.9(2) kcal/mole, in excellent agreement with the best coupled cluster results.Comment: 5 pages, 2 figures. to be published in JC