Basis contractions

When the HF basis set is minimal, this is fairly simple (there is a one-to-one correspondence in basis functions) but when it is larger, some algorithmic choices are made about how to carry out the mapping (e.g., always map to the tightest function or map based on overlap between the semiempirical STO and the large-basis contracted GTO). Thus, it is... 

Pople-type basis sets are generally characterized by heavier contraction (that is, fewer contracted functions for a given primitive set) and consequently somewhat lower accuracy. The earliest set was a minimal basis contraction (STO-3G) of a... 

BH X1S+ state large gaussian basis contracted to 11 functions 71... 

The examples quoted in Section IV all refer to minimal basis set wave functions composed of Slater-type orbitals (best atom zetas82>) for molecules I-XIV, and of Gaussian orbitals for the others. Wave functions for compounds XV-XXI refer to a (7 s 3p 13 s) basis contracted to [2s 1 p 11 s] proposed by Clementi, Clementi and Davis33) (CD basis), while for compound XXII we have used another Gaussian basis (4 s 2p 3s) contracted to [2s 1 p 12s] proposed by M ly and Pullman (MP basis)34). 

A basis contraction should be performed after the relativistic matrix H+ has been evaluated. 

Other recent applications of ANO basis sets include the work of Bausch-licher and Langhoff on the A ground state of FeH. Large multiconfiguration SCF (MCSCF)/MR SD-CI calculations were carried out with a (20s,15p,10d, 6f,4g/8s,6p,4d) primitive basis contracted to [8s,7p,5d,3f,2g/4s,3p,2d]. Exponents for the f and g funaions were chosen in an even-tempered fashion (Of 0.0696, ttg = 0.2088, pf,g = 2.5). 

F. Migrant — Interstate transportation provided by a Contract Carrier, but not a Common Carrier, of three or more migrant workers to or from their employment using any motor vehicle other than a passenger automobile or station wagon. A Contract Carrier provides transport service to one or more companies on a contract basis. Contract carriers do not maintain a regularly scheduled service. A Common Carrier transports persons or property for pay to anyone at any time and to any place within its operating authority. 

Calculations have been carried out with a 13s8p3df/8s3p2d basis contracted to 8s5p3d2f/5s3p2d. 

CNOMO (Comite de Normalisation des Moyens de Production) which prepares for the two national automobile manufacturers the texts that serve as the basis for supplier contracts... 

As the name implies the company basically rents the rig and crew on a per day basis. Usually the oil company also manages the drilling operation and has full control over the drilling process. This type of contract actually encourages the contractor to spend as much time as acceptable on location . With increased cost consciousness, day rate contracts have become less favoured by most oil companies. 

Bills of Quantities contract the total work is split into components which are specified in detail, and rates are agreed for the materials and labour. The basis of handling variations to cost are agreed. 

Schedule of Rates contract the cost of the labour is agreed on a rate basis, but the cost of materials and the exact hours are not specified. 

NDT has a very important formal status. Requirements for performanee of NDT, acceptance criteria and requirements for personnel qualification are implemented in codes and standards. The NDT procedure is part of the contract. During the many years that NDT methods have been used in industry a well-established situation has evolved, enabling the use of NDT for the evaluation of welds against Good Workmanship Criteria on a routine basis, thus maintaining workmanship standards and minimising the risks of component failure. 

Atomic natural orbital (ANO) basis sets [44] are fonned by contracting Gaussian fiinctions so as to reproduce the natural orbitals obtained from correlated (usually using a configuration interaction with... 

In the 6-3IG basis, the inner shell of carbon is represented by 6 primitives and the 4 valence shell orbitals are represented by 2 contracted orbitals each consisting of 4 primitives, 3 contracted and 1 uncontracted (hence the designation 6-31). That gives... 

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