Joe Rongen
Jul31-06, 04:00 AM
Sat, Jul 22 2006 5:24 am. Arnold Neumaier wrote in message
http://groups.google.com/group/sci.physics.research/browse_thread/thread/c498782a7044c6c5
Squark wrote:
[...snip...]
>> I would be glad if anyone directs me to a book that avoids the
>> shortcomings
>> of each of these three types. That is, I am looking for a book that
>> contains lots
>> of examples (I'm interested in organic chemistry mostly), the results
>> obtained
>> upon applying each computation method, and a discussion of why these
>> results are the way they are, including intermediate output of the
>> method
>> (e.g. wavefunctions) rather than only the final answer (e.g. energy).
> Maybe not quite what you are looking for, but I found the book
> Physical Chemistry' by Peter Atkins very useful.
P.W. Atkins also wrote "Molecular Quantum Mechanics",
ISBN 0-19-855170-3 (1987) This second edition contains
50 worked out solutions and 250 problems solved in his
"Solution Manual" It is recommended as an excellent
companion to "Physical chemistry."
"Clear, detailed solutions are given in the Solution Manual."
>From review: Journal of the American Chemical Society.
(I haven't checked but it is possible that by
now a third edition has been published.)
http://groups.google.com/group/sci.physics.research/browse_thread/thread/c498782a7044c6c5
Squark wrote:
[...snip...]
>> I would be glad if anyone directs me to a book that avoids the
>> shortcomings
>> of each of these three types. That is, I am looking for a book that
>> contains lots
>> of examples (I'm interested in organic chemistry mostly), the results
>> obtained
>> upon applying each computation method, and a discussion of why these
>> results are the way they are, including intermediate output of the
>> method
>> (e.g. wavefunctions) rather than only the final answer (e.g. energy).
> Maybe not quite what you are looking for, but I found the book
> Physical Chemistry' by Peter Atkins very useful.
P.W. Atkins also wrote "Molecular Quantum Mechanics",
ISBN 0-19-855170-3 (1987) This second edition contains
50 worked out solutions and 250 problems solved in his
"Solution Manual" It is recommended as an excellent
companion to "Physical chemistry."
"Clear, detailed solutions are given in the Solution Manual."
>From review: Journal of the American Chemical Society.
(I haven't checked but it is possible that by
now a third edition has been published.)