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State specific multireference Møller–Plesset perturbation theory: A few applications to ground, excited and ionized states

✍ Scribed by Sudip Chattopadhyay; Uttam Sinha Mahapatra; Rajat K. Chaudhuri


Book ID
113533054
Publisher
Elsevier Science
Year
2012
Tongue
English
Weight
428 KB
Volume
401
Category
Article
ISSN
0301-0104

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