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[×ÊÔ´] quantum Chemistry, Third Edition by John P. Lowe and Kirk Peterson

We have attempted to improve and update this text while retaining the features that
make it unique, namely, an emphasis on physical understanding, and the ability to
estimate, evaluate, and predict results without blind reliance on computers, while still
maintaining rigorous connection to the mathematical basis for quantum chemistry. We
have inserted into most chapters examples that allowimportant points to be emphasized,
clarified, or extended. This has enabled us to keep intact most of the conceptual
development familiar to past users. In addition, many of the chapters now include
multiple choice questions that students are invited to solve in their heads. This is not
because we think that instructors will be using such questions. Rather it is because we
find that such questions permit us to highlight some of the definitions or conclusions
that students often find most confusing far more quickly and effectively than we can
by using traditional problems. Of course, we have also sought to update material
on computational methods, since these are changing rapidly as the field of quantum
chemistry matures.
This book is written for courses taught at the first-year graduate/senior undergraduate
levels, which accounts for its implicit assumption that many readers will be relatively
unfamiliar with much of the mathematics and physics underlying the subject. Our
experience over the years has supported this assumption; many chemistry majors are
exposed to the requisite mathematics and physics, yet arrive at our courses with poor
understanding or recall of those subjects. That makes this course an opportunity for
such students to experience the satisfaction of finally seeing how mathematics, physics,
and chemistry are intertwined in quantum chemistry. It is for this reason that treatments
of the simple and extended H¨¹ckel methods continue to appear, even though these are no
longer the methods of choice for serious computations. These topics nevertheless form
the basis for the way most non-theoretical chemists understand chemical processes,
just as we tend to think about gas behavior as ¡°ideal, with corrections.¡±
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