Buy Recent Advances In Coupled-cluster Methods by Delano Pun Chong
Book 1
Book 2
Book 3
Book 1
Book 2
Book 3
Book 1
Book 2
Book 3
Book 1
Book 2
Book 3
Home > Mathematics and Science Textbooks > Chemistry > Physical chemistry > Recent Advances In Coupled-cluster Methods: (3 Recent Advances In Computational Chemistry)
Recent Advances In Coupled-cluster Methods: (3 Recent Advances In Computational Chemistry)

Recent Advances In Coupled-cluster Methods: (3 Recent Advances In Computational Chemistry)


     0     
5
4
3
2
1



Available


X
About the Book

Coupled-cluster (CC) theory has emerged as the most accurate, widely applicable approach for the correlation problem in molecules. Furthermore, the correct scaling of the energy and wavefunction with size (extensivity) recommends it for studies of polymers and crystals as well as molecules. CC methods have also paid dividends for nuclei, and for certain strongly correlated systems of interest in field theory. In order for CC methods to have achieved this distinction, it has been necessary to formulate new, theoretical approaches for the treatment of a variety of essential quantities. These include properties and, particularly, analytical first derivatives (gradients) that readily provide the forces on the atoms in a molecule to facilitate searching potential energy surfaces for structures and transition states; second derivatives (Hessians) which indicate the type of extremum point and provide vibrational frequencies and intensities; excited, ionized and electron attached states including their properties; multi-configurational reference functions to add important nondynamic correlation; and relativistic effects. This book addresses recent work in each of the above topics in ten chapters written by leading experts in molecular CC theory. Each chapter presents new results and formulations that offer another step toward providing the next generation of powerful CC solutions."



Table of Contents:
CC-R12 - an explicitly correlated coupled-cluster theory; analytic evaluation of second derivatives of the energy; computational strategies for the CCSD and CDSD(T) approximations; towards state-specific formulation of multireference coupled-cluster theory coupled electron pair approximations (CEPA) leading to multireference configuration interaction (MR-CI) type equations; relativistic coupled cluster - method and applications; a state-specific multi-reference coupled cluster approach for treating quasi-degeneracy; unitary group based coupled cluster methods and calculation of molecular properties; single reference coupled cluster and perturbation theories of electronic excitation energies; analytic coupled cluster based response approach using multitude-terminantal model space; spin adaptations in the open shell coupled cluster theory with a single determinant restricted Hartree-Fock reference; multi-reference self-consistent size-extensive configuration interaction (CI) - a bridge between the coupled-cluster method and the CI method.


Best Sellers


Product Details
  • ISBN-13: 9789810231125
  • Publisher: World Scientific Publishing Co Pte Ltd
  • Publisher Imprint: World Scientific Publishing Co Pte Ltd
  • Language: English
  • Series Title: 3 Recent Advances In Computational Chemistry
  • ISBN-10: 9810231121
  • Publisher Date: 14 May 1997
  • Binding: Hardback
  • No of Pages: 340


Similar Products

Add Photo
Add Photo

Customer Reviews

REVIEWS      0     
Click Here To Be The First to Review this Product
Recent Advances In Coupled-cluster Methods: (3 Recent Advances In Computational Chemistry)
World Scientific Publishing Co Pte Ltd -
Recent Advances In Coupled-cluster Methods: (3 Recent Advances In Computational Chemistry)
Writing guidlines
We want to publish your review, so please:
  • keep your review on the product. Review's that defame author's character will be rejected.
  • Keep your review focused on the product.
  • Avoid writing about customer service. contact us instead if you have issue requiring immediate attention.
  • Refrain from mentioning competitors or the specific price you paid for the product.
  • Do not include any personally identifiable information, such as full names.

Recent Advances In Coupled-cluster Methods: (3 Recent Advances In Computational Chemistry)

Required fields are marked with *

Review Title*
Review
    Add Photo Add up to 6 photos
    Would you recommend this product to a friend?
    Tag this Book Read more
    Does your review contain spoilers?
    What type of reader best describes you?
    I agree to the terms & conditions
    You may receive emails regarding this submission. Any emails will include the ability to opt-out of future communications.

    CUSTOMER RATINGS AND REVIEWS AND QUESTIONS AND ANSWERS TERMS OF USE

    These Terms of Use govern your conduct associated with the Customer Ratings and Reviews and/or Questions and Answers service offered by Bookswagon (the "CRR Service").


    By submitting any content to Bookswagon, you guarantee that:
    • You are the sole author and owner of the intellectual property rights in the content;
    • All "moral rights" that you may have in such content have been voluntarily waived by you;
    • All content that you post is accurate;
    • You are at least 13 years old;
    • Use of the content you supply does not violate these Terms of Use and will not cause injury to any person or entity.
    You further agree that you may not submit any content:
    • That is known by you to be false, inaccurate or misleading;
    • That infringes any third party's copyright, patent, trademark, trade secret or other proprietary rights or rights of publicity or privacy;
    • That violates any law, statute, ordinance or regulation (including, but not limited to, those governing, consumer protection, unfair competition, anti-discrimination or false advertising);
    • That is, or may reasonably be considered to be, defamatory, libelous, hateful, racially or religiously biased or offensive, unlawfully threatening or unlawfully harassing to any individual, partnership or corporation;
    • For which you were compensated or granted any consideration by any unapproved third party;
    • That includes any information that references other websites, addresses, email addresses, contact information or phone numbers;
    • That contains any computer viruses, worms or other potentially damaging computer programs or files.
    You agree to indemnify and hold Bookswagon (and its officers, directors, agents, subsidiaries, joint ventures, employees and third-party service providers, including but not limited to Bazaarvoice, Inc.), harmless from all claims, demands, and damages (actual and consequential) of every kind and nature, known and unknown including reasonable attorneys' fees, arising out of a breach of your representations and warranties set forth above, or your violation of any law or the rights of a third party.


    For any content that you submit, you grant Bookswagon a perpetual, irrevocable, royalty-free, transferable right and license to use, copy, modify, delete in its entirety, adapt, publish, translate, create derivative works from and/or sell, transfer, and/or distribute such content and/or incorporate such content into any form, medium or technology throughout the world without compensation to you. Additionally,  Bookswagon may transfer or share any personal information that you submit with its third-party service providers, including but not limited to Bazaarvoice, Inc. in accordance with  Privacy Policy


    All content that you submit may be used at Bookswagon's sole discretion. Bookswagon reserves the right to change, condense, withhold publication, remove or delete any content on Bookswagon's website that Bookswagon deems, in its sole discretion, to violate the content guidelines or any other provision of these Terms of Use.  Bookswagon does not guarantee that you will have any recourse through Bookswagon to edit or delete any content you have submitted. Ratings and written comments are generally posted within two to four business days. However, Bookswagon reserves the right to remove or to refuse to post any submission to the extent authorized by law. You acknowledge that you, not Bookswagon, are responsible for the contents of your submission. None of the content that you submit shall be subject to any obligation of confidence on the part of Bookswagon, its agents, subsidiaries, affiliates, partners or third party service providers (including but not limited to Bazaarvoice, Inc.)and their respective directors, officers and employees.

    Accept


    Inspired by your browsing history


    Your review has been submitted!

    You've already reviewed this product!