0
Your cart

Your cart is empty

Browse All Departments
  • All Departments
Price
  • R2,500 - R5,000 (1)
  • -
Status
Brand

Showing 1 - 1 of 1 matches in All Departments

Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy (Paperback, Softcover reprint of the original 1st... Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy (Paperback, Softcover reprint of the original 1st ed. 1995)
S. Langhoff
R3,419 Discovery Miles 34 190 Ships in 10 - 15 working days

The theoretical chemist is accustomed to judging the success of a theoretical prediction according to how well it agrees with an experimental measurement. Since the object of theory is the prediction of the results of experiment, that would appear to be an entirely satisfactory state ofaffairs. However, ifit is true that "the underlying physicallaws ...for the whole ofchemistryare ...completely known" (1), thenit shouldbepossible,atleastinprinciple, topredict theresults of experiment moreaccurately than they canbe measured. Ifthe theoreticalchemist could obtain exact solutions ofthe Schrodinger equation for many-body systems, then the experimental chemist would soon become accustomed to judging the success ofan experimental measurement by how well it agrees with a theoretical prediction. In fact, it is now possible to obtainexact solutions ofthe Schrodinger equation for systems ofa few electrons(2-8). These systems include the molecular ion Ht, the molecule H , the reaction intermediate H-H-H, the unstable pair H-He, the 2 stable dimer He2' and the trimer He3. The quantum Monte Carlo method used in solving the time-independent Schrodinger equation for these systems is exact in that it requires no physical or mathematical assumptions beyond those of the Schrodinger equation. As in most Monte Carlo methods there is a statistical or sampling error which is readily estimated.

Free Delivery
Pinterest Twitter Facebook Google+
You may like...
Tower W106 A4 Inkjet/Laser Rect. Labels…
R430 R348 Discovery Miles 3 480
Modern Punch Needle - Modern and Fresh…
Duygu Turgut Paperback R477 R385 Discovery Miles 3 850
Animating Liturgy - The Dynamics of…
Stephen Platten Hardcover R844 Discovery Miles 8 440
Staedtler Ballpoint Pens Assorted…
R506 Discovery Miles 5 060
Table Talk
Mike Graves Hardcover R1,003 R853 Discovery Miles 8 530
Anthony Whishaw - Works on Paper
Richard Davey Paperback R1,230 Discovery Miles 12 300
Dolly Parton, Songteller: My Life in…
Chronicle Books Hardcover R1,579 R1,377 Discovery Miles 13 770
Making and Remaking Italy - The…
Albert Russell Ascoli, Krystyna Von Henneberg Hardcover R4,582 Discovery Miles 45 820
Crooked River City - The Musical Life of…
Terry Wait Klefstad Hardcover R3,191 Discovery Miles 31 910
In Love With The World - What a Monk Can…
Yongey Mingyur Rinpoche Paperback  (1)
R299 R271 Discovery Miles 2 710

 

Partners