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We present a method that uses the one-particle density matrix to generate directly localized orbitalsdedicated to multireference wave functions. On one hand, it is shown that the definition of localorbitals making possible physically justified truncations of the CAS ~complete active space! isparticularly adequate for the treatment of multireference problems. On the other hand, as it will beshown in the case of bond breaking, the control of the spatial location of the active orbitals maypermit description of the desired physics with a smaller number of active orbitals than when startingfrom canonical molecular orbitals. The subsequent calculation of the dynamical correlation energycan be achieved with a lower computational effort either due to this reduction of the active space,or by truncation of the CAS to a shorter set of references. The ground- and excited-state energies arevery close to the current complete active space self-consistent field ones and several examples ofmultireference singles and doubles calculations illustrate the interest of the procedur

Direct generation of local orbitals for multireference treatment and subsequent uses for the calculation of the correlation energy