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MCQDPT vs. XMCQDPT: low-lying excited states of O3 molecule Ilya G. Ryabinkin1 , Laboratory of Quantum Mechanics and Molecular Structure, Chemistry Department of Moscow State University, 119991, Leninskie Gory 1-3, Moscow, Russia. ... XMCQDPT: low-lying excited states of O3 Introduction: A brief overview of MCQDPT theory Reliable, cost-effective alternative to other multi-reference (MR) approaches, such as MR-CI(+Q), ic -MRCI, MR-AQCC and MR-ACPF. ... XMCQDPT: low-lying excited states of O3 ...
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... The common results (Ariel Yoshkar-Ola) will be published later · Pocherevin Roman (Lomonosov Moscow State University , Russia ) 788 points · Tugova Ekaterina (Lomonosov Moscow State University , Russia ) 788 points · Briukhova Natalia (Lomonosov Moscow State University , Russia ) 742 points · Krasilnikov Aleksandr (Chelyabinsk State University , Russia ) 645 I. Cuza University, Romania) 253 points · Coman Florin-Alexandru (Al. ...
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