1. Schafer, A., Horn, H., Ahlrichs, R.
Fully optimized contracted Gaussian basis sets for atoms Li to Kr
// The Journal of Chemical Physics.- 1992.- V. 97.- N. 4.- P. 2571-2577.
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http://dx.doi.org/10.1063/1.463096Auxiliary basis sets to approximate Coulomb potentials
// Chemical Physics Letters.- 1995.- V. 240.- N. 4.- P. 283-289.
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http://dx.doi.org/10.1016/0009-2614(95)00621-AAuxiliary basis sets for main row atoms and transition metals and their use to approximate Coulomb potentials
// Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta). - 1997.- V. 97.- N. 1.- P. 119-124.
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http://dx.doi.org/10.1007/s002140050244Energy-consistent relativistic pseudopotentials and correlation consistent basis sets for the 4d elements Y--Pd
// The Journal of Chemical Physics.– 2007.– V. 126.– N. 12.– P. 124101-124112.
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http://dx.doi.org/10.1063/1.2647019Energy-adjustedab initio pseudopotentials for the second and third row transition elements
// Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta).– 1990.– V. 77.– N. 2.– P. 123-141.
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http://dx.doi.org/10.1007/BF01114537