The following text field will produce suggestions that follow it as you type.

Barnes and Noble

Loading Inventory...
Methods in Computational Chemistry: Volume 1 Electron Correlation in Atoms and Molecules

Methods in Computational Chemistry: Volume 1 Electron Correlation in Atoms and Molecules in Franklin, TN

By Barnes & Noble

Current price: $169.99
Get it in StoreVisit retailer's website
Methods in Computational Chemistry: Volume 1 Electron Correlation in Atoms and Molecules

Barnes and Noble

Methods in Computational Chemistry: Volume 1 Electron Correlation in Atoms and Molecules in Franklin, TN

By Barnes & Noble

Current price: $169.99
Loading Inventory...

Size: Hardcover

When, forty years ago, as a student of Charles Coulson in Oxford I began work in theoretical chemistry, I was provided with a Brunsviga calculator-a small mechanical device with a handle for propulsion, metal levers for setting the numbers, and a bell that rang to indicate overflow. What has since come to be known as computational chemistry was just beginning. There followed a long period in which the fundamental theory of the "golden age" (1925-1935) was extended and refined and in which the dreams of the early practitioners were gradually turned into hard arithmetic reality. As a still-computing survivor from the early postwar days now enjoying the benefits of unbelievably improved hardware, I am glad to contribute a foreword to this series and to have the opportunity of providing a little historical perspective. After the Brunsviga came the electromechanical machines of the late 1940s and early 1950s, and a great reduction in the burden of calculating molecular wavefunctions. We were now happy. At least for systems con­ taining a few electrons it was possible to make fully ab initio calculations, even though semiempirical models remained indispensable for most molecules of everyday interest. The 1950 papers of Hall and of Roothaan represented an important milestone along the road to larger-scale non­ empirical calculations, extending the prewar work of Hartree and Fock from many-electron atoms to many-electron molecules-and thus into "real chemistry.
When, forty years ago, as a student of Charles Coulson in Oxford I began work in theoretical chemistry, I was provided with a Brunsviga calculator-a small mechanical device with a handle for propulsion, metal levers for setting the numbers, and a bell that rang to indicate overflow. What has since come to be known as computational chemistry was just beginning. There followed a long period in which the fundamental theory of the "golden age" (1925-1935) was extended and refined and in which the dreams of the early practitioners were gradually turned into hard arithmetic reality. As a still-computing survivor from the early postwar days now enjoying the benefits of unbelievably improved hardware, I am glad to contribute a foreword to this series and to have the opportunity of providing a little historical perspective. After the Brunsviga came the electromechanical machines of the late 1940s and early 1950s, and a great reduction in the burden of calculating molecular wavefunctions. We were now happy. At least for systems con­ taining a few electrons it was possible to make fully ab initio calculations, even though semiempirical models remained indispensable for most molecules of everyday interest. The 1950 papers of Hall and of Roothaan represented an important milestone along the road to larger-scale non­ empirical calculations, extending the prewar work of Hartree and Fock from many-electron atoms to many-electron molecules-and thus into "real chemistry.

More About Barnes and Noble at CoolSprings Galleria

Barnes & Noble is the world’s largest retail bookseller and a leading retailer of content, digital media and educational products. Our Nook Digital business offers a lineup of NOOK® tablets and e-Readers and an expansive collection of digital reading content through the NOOK Store®. Barnes & Noble’s mission is to operate the best omni-channel specialty retail business in America, helping both our customers and booksellers reach their aspirations, while being a credit to the communities we serve.

1800 Galleria Blvd #1310, Franklin, TN 37067, United States

Find Barnes and Noble at CoolSprings Galleria in Franklin, TN

Visit Barnes and Noble at CoolSprings Galleria in Franklin, TN
Powered by Adeptmind