Complementary First and Second Derivative Methods for Ansatz Optimization in Variational Monte Carlo

We present a comparison between a number of recently introduced low-memory wave function optimization methods for variational Monte Carlo in which we find that first and second derivative methods possess strongly complementary relative advantages. While we find that low-memory variants of the linear method are vastly more efficient at bringing wave functions with disparate types of nonlinear parameters to the vicinity of the energy minimum, accelerated descent approaches are then able to locate the precise minimum with less bias and lower statistical uncertainty. By constructing a simple hybrid approach that combines these methodologies, we show that all of these advantages can be had at once when simultaneously optimizing large determinant expansions, molecular orbital shapes, traditional Jastrow correlation factors, and more nonlinear many-electron Jastrow factors

The Implications of Animal Research for Problems in Mental Health

The title of this talk is stated in a much too positive way for one to feel fully comfortable about it. Perhaps it should end with a question mark rather than a period. That is, it appears legitimate to ask: what sorts of implications, if any, does animal research have for mental health? The simplest and most honest answer (assuming that we all know what the term mental health means, in the first place) is that we don\u27t know

A hybrid approach to excited-state-specific variational Monte Carlo and doubly excited states

We extend our hybrid linear-method/accelerated-descent variational Monte Carlo optimization approach to excited states and investigate its efficacy in double excitations. In addition to showing a superior statistical efficiency when compared to the linear method, our tests on the carbon dimer and cyclopentadiene show good energetic agreement with benchmark methods and experiment, respectively. We also demonstrate the ability to treat double excitations in systems that are too large for a full treatment by selective configuration interaction methods via an application to 4-aminobenzonitrile. Finally, we investigate the stability of state-specific variance optimization against collapse to other states' variance minima and find that symmetry, ansatz quality, and sample size all have roles to play in achieving stability.Comment: 44 pages, 9 figures, 7 tables plus supplementary material, accepted by The Journal of Chemical Physic

A Reply to Dr. Freeman

First may I say that I do not feel that I have been advocating dualism, nor do I believe that Dr. Freeman believes that I have been advocating dualism. I have, however, been advocating caution and the necessity for more spade work (i.e. parametric studies) both at the animal and human level in order to determine empirically, as I put it in my paper, what sorts of generalizations the differences and similarities between the behavior of (animals) and men will allow. Until we know what these differences and similarities are, I think we would be well advised to hold back on our willingness to generalize. Premature generalization, it seems to me, tends to stifle new ways of approaching known data and also tends to discourage vigorous exploration of relatively uncharted areas of behavior which do not appear to fit some highly cathected and well established model. I suspect that with a few minutes private conversation, Dr. Freeman and I would find that we have much in agreement on these matters

Clean and Convenient Tessellations for Number Counting Jastrow Factors

We introduce a basis of counting functions that, by cleanly tessellating three dimensional space, allows real space number counting Jastrow factors to be straightforwardly applied to general molecular situations. By exerting direct control over electron populations in local regions of space and encoding pairwise correlations between these populations, these Jastrow factors allow even very simple reference wave functions to adopt nodal surfaces well suited to many strongly correlated settings. Being trivially compatible with traditional Jastrow factors and diffusion Monte Carlo and having the same cubic per-sample cost scaling as a single determinant trial function, these Jastrow factors thus offer a powerful new route to the simultaneous capture of weak and strong electron correlation effects in a wide variety of molecular and materials settings. In multiple strongly correlated molecular examples, we show that even when paired with the simplest possible single determinant reference, these Jastrow factors allow quantum Monte Carlo to out-perform coupled cluster theory and approach the accuracy of traditional multi-reference methods.Comment: 21 pages, 22 figures, 7 table

When It\u27s Sleepy Time Down South / words by Leon Rene, Otis Rene, and Clarence Muse

Cover: photograph of Miss Mildred Bailey; Publisher: Freed and Powers (New York)https://egrove.olemiss.edu/sharris_e/1020/thumbnail.jp

When It\u27s Sleepy Time Down South

Picture of a woman wearing boa and hathttps://scholarsjunction.msstate.edu/cht-sheet-music/6728/thumbnail.jp

Psychological Research and Mental Health: A Symposium

Leonard D. Goodstein, State University of Iowa, Iowa City, Chairman Mental Health Research in a Veterans Administration General Hospital Edwin Cohen, Veterans Administration Hospital, Iowa City. Mental Health Research in an Academic Setting Alfred B. Heilbrun, Jr., State University of Iowa, Iowa City. Mental Health Research in a Psychopathic Hospital Irwin J. Knopf, Iowa Psychopathic Hospital, Iowa City. The Implications of Animal Research for Mental Health Problems Leon S. Otis, State University of Iowa, Iowa City. Discussants: James Freeman, Iowa State College, Ames, and Leonard Worell, State University of Iowa, Iowa City

1959: Abilene Christian College Bible Lectures - Full Text

UNTO ALL THE WORLD” Being the Abilene Christian College Annual Bible Lectures 1959 Price: $3.00 Published by FIRM FOUNDATION PUBLISHING HOUSE Box 77 Austin, Texa