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The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, ISSN 1089-5639, 03/2019, Volume 123, Issue 12, pp. 2325 - 2339
...) wave functions utilizing effective core potentials and their associated basis sets within the framework of second-order configuration interaction (SOCI) to calculate spin–orbit couplings (SOC... 
SCALE CONFIGURATION-INTERACTION | ACTIVE SPACE CONCEPT | Y-XE APPLICATION | EXPONENT BASIS-SETS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | RELATIVISTIC EFFECTIVE POTENTIALS | EFFECTIVE NUCLEAR CHARGES | COMPACT EFFECTIVE POTENTIALS | MAIN-GROUP ELEMENTS | ZETA BASIS-SETS | GAUSSIAN-BASIS SETS | ATOMIC AND MOLECULAR PHYSICS
Journal Article
The Journal of chemical physics, ISSN 0021-9606, 07/2015, Volume 143, Issue 1, p. 014114
Journal Article
1993, World Scientific series in 20th century chemistry, ISBN 9810214391, Volume 1, xvii, 517
Book
Macromolecules, ISSN 0024-9297, 04/2010, Volume 43, Issue 8, pp. 3964 - 3979
.... From the appropriate closure relation, the effective, soft-core potential between coarse-grained units is obtained and used as input to our mesoscale simulations... 
POLYMER SCIENCE | THERMODYNAMICS | PHASE-TRANSITIONS | EFFECTIVE PAIR POTENTIALS | DYNAMICS | ANOMALOUS MIXING BEHAVIOR | CHAINS | MODEL | BLENDS | EQUATION | MISCIBILITY | Physics - Soft Condensed Matter
Journal Article
Physical review. C, Nuclear physics, ISSN 0556-2813, 2005, Volume 72, Issue 6, pp. 065210 - 065210-21
Journal Article
The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, ISSN 1089-5639, 03/2018, Volume 122, Issue 11, pp. 3066 - 3075
Effective core potential (ECP) integrals are among the most difficult one-electron integrals to calculate due to the projection operators... 
MOLECULAR CALCULATIONS | EXPONENT BASIS-SETS | GAUSSIAN-BASIS | RECURRENCE RELATIONS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | RELATIVISTIC EFFECTIVE POTENTIALS | ATOMS | MATRIX-ELEMENTS | SPIN-ORBIT OPERATORS | AB-INITIO PSEUDOPOTENTIALS | COMPACT EFFECTIVE POTENTIALS
Journal Article
Journal of the American Ceramic Society, ISSN 0002-7820, 12/2017, Volume 100, Issue 12, pp. 5668 - 5680
Journal Article